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Phenol (C6H6O)

Looking for routes to Phenol? Phenol presents a C6 framework, aromatic rings. Use the planner with prefilled SMILES, or copy Oc1ccccc1 (CAS 108-95-2).

Target
Phenol
CAS
108-95-2
Formula
C6H6O
Approx. MW
94.11
SMILES
Oc1ccccc1
PubChem CID
996
Approx. carbons
C6

Phenol structure

Properties

IUPAC name
phenol
Common names
phenol; 108-95-2; carbolic acid; Hydroxybenzene; Phenic acid; Oxybenzene; Benzenol; Phenylic acid; Phenylic alcohol; Monophenol
Molecular weight
94.11
Exact mass
94.04
InChIKey
ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Melting point
109 °F (NTP, 1992)
Boiling point
360 °F at 760 mmHg (NTP, 1992)
Density
1.04 at 105.8 °F (USCG, 1999) - Denser than water; will sink

Example route

AI-precomputed example (not literature-verified). Full route page

Cleavage of cumene hydroperoxide yields phenol and acetone (Hock rearrangement). … (2 steps total)

Cleavage of cumene hydroperoxide yields phenol and acetone (Hock rearrangement). → Hydrolyze chlorobenzene under forcing conditions (Dow process style) to phenol.

View example route for Phenol

View on PubChem

Phenol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Phenol?

Phenol has molecular formula C6H6O. Molecular weight about 94.11 g·mol⁻¹.

How can Phenol be synthesized?

Cleavage of cumene hydroperoxide yields phenol and acetone (Hock rearrangement). Then Hydrolyze chlorobenzene under forcing conditions (Dow process style) to phenol.

What is the CAS number of Phenol?

The CAS Registry Number for Phenol is 108-95-2.

Run AI retrosynthesis for Phenol Target catalog AI tools overview

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Related targets

Similar compounds

(3-bromophenyl)boronic Acid(3-hydroxyphenyl)boronic Acid1-(thiophen-3-yl)ethanone1-aminobenzotriazole1-Bromo-2-chloro-3-fluorobenzene1-Bromo-2-chlorobenzene

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References & tools