Thymoquinone (C10H12O2)

Thymoquinone presents a C10 framework (formula C10H12O2, CAS 490-91-5). ChemicalTool Reaction can propose ranked disconnections for Thymoquinone from the SMILES CC1=CC(=O)C(C(C)C)=CC1=O.

Target: Thymoquinone
CAS: 490-91-5
Formula: C10H12O2
Approx. MW: 164.20
SMILES: CC1=CC(=O)C(C(C)C)=CC1=O
PubChem CID: 10281
Approx. carbons: C10

Thymoquinone structure

Properties

Molecular weight: 164.20

View on PubChem

Thymoquinone 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Thymoquinone?

Thymoquinone has molecular formula C10H12O2. Molecular weight about 164.20 g·mol⁻¹.

What is the CAS number of Thymoquinone?

The CAS Registry Number for Thymoquinone is 490-91-5.

Run AI retrosynthesis for Thymoquinone Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C10H12O2.

Related targets

Similar compounds

1-Methoxyindan-2-ol Duroquinone tert-Butylquinone 1-(2-ethoxyphenyl)ethanone 1-Allyloxy-4-Methoxybenzene 2-methyl-2-phenylpropanoic acid

Browse the full target catalog

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.