Retrosynthesis Target Catalog

Common laboratory and building-block molecules as AI retrosynthesis targets. Open a page for SMILES, CAS, and a one-click planner link.

Browse All 2938

A–ZA 110 B 109 C 118 D 220 E 114 F 23 G 41 H 68 I 87 J 1 K 3 L 17 M 160 N 118 O 46 P 165 Q 5 R 6 S 42 T 156 U 55 V 30WX 2YZ 1

CarbonsC1–C4 559 C5–C8 1613 C9–C12 766C13–C18C19+

Showing 321–400 of 1,613 · formula C5–C8 · page 5/21

Target	CAS	Formula	Slug
2-Methylcyclohexanone	583-60-8	C7H12O	`2-methylcyclohexanone`
2-Methylfuran	534-22-5	C5H6O	`2-methylfuran`
2-Methylglutaric Acid	18069-17-5	C6H10O4	`2-methylglutaric-acid`
2-Methylhexanoic Acid	4536-23-6	C7H14O2	`2-methylhexanoic-acid`
2-Methylpentanal	123-15-9	C6H12O	`2-methylpentanal`
2-Methylpentyl Formate	381670-34-4	C7H14O2	`2-methylpentyl-formate`
2-Methylphenyl isothiocyanate	614-69-7	C8H7NS	`2-methylphenyl-isothiocyanate`
2-Methylpiperidine	109-05-7	C6H13N	`2-methylpiperidine`
2-Methylpropanal diethyl acetal	1741-41-9	C8H18O2	`2-methylpropanal-diethyl-acetal`
2-Methylpyrazine	109-08-0	C5H6N2	`2-methylpyrazine`
2-Methylsuccinic acid	498-21-5	C5H8O4	`2-methylsuccinic-acid`
2-Methyltetrahydrofuran	96-47-9	C5H10O	`2-methyltetrahydrofuran`
2-Methyltetrahydrofuran-3-One	3188-00-9	C5H8O2	`2-methyltetrahydrofuran-3-one`
2-Nitroaniline	88-74-4	C6H6N2O2	`2-nitroaniline`
2-Nitrophenylhydrazine	3034-19-3	C6H7N3O2	`2-nitrophenylhydrazine`
2-Nitroresorcinol	601-89-8	C6H5NO4	`2-nitroresorcinol`
2-Octanone	111-13-7	C8H16O	`2-octanone`
2-Oxoadipic acid	3184-35-8	C6H8O5	`2-oxoadipic-acid`
2-Oxopentanedioic acid	328-50-7	C5H6O5	`2-oxopentanedioic-acid`
2-Oxopentanoic acid	1821-02-9	C5H8O3	`2-oxopentanoic-acid`
2-Pentanol	6032-29-7	C5H12O	`2-pentanol`
2-Pentanone	107-87-9	C5H10O	`2-pentanone`
2-Pentyloxirane	5063-65-0	C7H14O	`2-pentyloxirane`
2-Phenoxyacetohydrazide	4664-55-5	C8H10N2O2	`2-phenoxyacetohydrazide`
2-Phenoxyethanol	122-99-6	C8H10O2	`2-phenoxyethanol`
2-Phenylacetamide	103-81-1	C8H9NO	`2-phenylacetamide`
2-Phenylethanol	60-12-8	C8H10O	`2-phenylethanol`
2-Phenylglycine	69-91-0	C8H9NO2	`2-phenylglycine`
2-Piperidinemethanol	3433-37-2	C6H13NO	`2-piperidinemethanol`
2-Propen-1-ylcyclopropane	4663-23-4	C6H10	`2-propen-1-ylcyclopropane`
2-Propionylfuran	3194-15-8	C7H8O2	`2-propionylfuran`
2-Propyl-2-imidazoline	15450-05-2	C6H12N2	`2-propyl-2-imidazoline`
2-Propylvaleryl chloride	2936-08-5	C8H15ClO	`2-propylvaleryl-chloride`
2-Pyridinesulfonic acid	15103-48-7	C5H5NO3S	`2-pyridinesulfonic-acid`
2-Pyridylhydroxymethanesulfonic acid	3343-41-7	C6H7NO4S	`2-pyridylhydroxymethanesulfonic-acid`
2-tert-Butoxyethanol	7580-85-0	C6H14O2	`2-tert-butoxyethanol`
2-Thiophenecarboxylic acid	527-72-0	C5H4O2S	`2-thiophenecarboxylic-acid`
2-Thiopheneethanol	5402-55-1	C6H8OS	`2-thiopheneethanol`
2-Thiophenemethanol	636-72-6	C5H6OS	`2-thiophenemethanol`
2-Vinylpyridine	100-69-6	C7H7N	`2-vinylpyridine`
2,3-dimethyl-2-butene	563-79-1	C6H12	`tmee`
2,4-dinitrobenzenesulfonic acid	89-02-1	C6H4N2O7S	`dnbsa`
2,6-dichloro-4-nitrophenol	618-80-4	C6H3Cl2NO3	`dcnp`
2.4-difluoroaniline	367-25-9	C6H5F2N	`24-difluoroaniline`
2.6-difluorophenol	28177-48-2	C6H4F2O	`26-difluorophenol`
2'-Bromoacetophenone	2142-69-0	C8H7BrO	`2-bromoacetophenone-2`
2'-Chloroacetanilide	533-17-5	C8H8ClNO	`2-chloroacetanilide`
2'-Chloroacetophenone	2142-68-9	C8H7ClO	`2-chloroacetophenone`
3-(2-methoxyethoxy)prop-1-ene	18854-48-3	C6H12O2	`3-2-methoxyethoxyprop-1-ene`
3-(Acetylthio)-2-methylpropanoic acid	33325-40-5	C6H10O3S	`3-acetylthio-2-methylpropanoic-acid`
3-(Acetylthio)propionic acid	41345-70-4	C5H8O3S	`3-acetylthiopropionic-acid`
3-(aminopropyl)ethylenediamine	13531-52-7	C5H15N3	`3-aminopropylethylenediamine`
3-(chloromethyl)heptane	123-04-6	C8H17Cl	`3-chloromethylheptane`
3-(Chloromethyl)pentane	4737-41-1	C6H13Cl	`3-chloromethylpentane`
3-(Diethylamino)propanenitrile	5351-04-2	C7H14N2	`3-diethylaminopropanenitrile`
3-(Dimethylamino)-1-propanol	3179-63-3	C5H13NO	`3-dimethylamino-1-propanol`
3-(Methylthio)benzoic acid	825-99-0	C8H8O2S	`3-methylthiobenzoic-acid`
3-(Trifluoromethoxy)benzonitrile	52771-22-9	C8H4F3NO	`3-trifluoromethoxybenzonitrile`
3-(Trifluoromethyl)benzaldehyde	454-89-7	C8H5F3O	`3-trifluoromethylbenzaldehyde`
3-(Trifluoromethyl)benzoic acid	454-92-2	C8H5F3O2	`3-trifluoromethylbenzoic-acid`
3-(Trifluoromethyl)benzonitrile	368-77-4	C8H4F3N	`3-trifluoromethylbenzonitrile`
3-(Trifluoromethyl)benzoyl chloride	2251-65-2	C8H4ClF3O	`3-trifluoromethylbenzoyl-chloride`
3-(Trifluoromethyl)benzyl bromide	402-23-3	C8H6BrF3	`3-trifluoromethylbenzyl-bromide`
3-(Trifluoromethyl)benzyl chloride	705-29-3	C8H6ClF3	`3-trifluoromethylbenzyl-chloride`
3-(Trifluoromethyl)benzylamine	2740-83-2	C8H8F3N	`3-trifluoromethylbenzylamine`
3-(Trifluoromethyl)benzylic alcohol	349-75-7	C8H7F3O	`3-trifluoromethylbenzylic-alcohol`
3-(Trifluoromethyl)phenyl isothiocyanate	1840-19-3	C8H4F3NS	`3-trifluoromethylphenyl-isothiocyanate`
3-Acetamidopyrrolidine	79286-74-1	C6H12N2O	`3-acetamidopyrrolidine`
3-Acetylbenzenesulfonyl fluoride	709-60-4	C8H7FO3S	`3-acetylbenzenesulfonyl-fluoride`
3-acetyloxy-2-aminopropanoic acid	4985-36-8	C5H9NO4	`3-acetyloxy-2-aminopropanoic-acid`
3-Acetylphenylboronic acid	204841-19-0	C8H9BO3	`3-acetylphenylboronic-acid`
3-Amino-2-chloropyridine	6298-19-7	C5H5ClN2	`3-amino-2-chloropyridine`
3-Amino-4-methoxybenzamide	17481-27-5	C8H10N2O2	`3-amino-4-methoxybenzamide`
3-Amino-4-methylpentanoic acid	5699-54-7	C6H13NO2	`3-amino-4-methylpentanoic-acid`
3-Amino-4-picoline	3430-27-1	C6H8N2	`3-amino-4-picoline`
3-Amino-o-xylene	87-59-2	C8H11N	`3-amino-o-xylene`
3-aminoazepan-2-one	671-42-1	C6H12N2O	`3-aminoazepan-2-one`
3-Aminopentane	616-24-0	C5H13N	`3-aminopentane`
3-Aminophenol	591-27-5	C6H7NO	`3-aminophenol`
3-bromo-1-benzofuran	59214-70-9	C8H5BrO	`3-bromo-1-benzofuran`

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.