Molecular properties
- Formula
- C6H6O
- Molar mass
- 94.11 g·mol−1
- Exact mass
- 94.0419 Da
- 4
- 1
- 1
- 20.20 Ų
- 1.5 (PubChem computed XLogP3-AA descriptor)
- CAS
- 108-95-2
- PubChem CID
- 996
Molecule record
phenol
C6H6O
94.11 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alcohol
Alkene
Aromatic ring
Phenol
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 1.5 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 108-95-2
- Acide carbolique
- Benzenol
- Carbolsaure
- Fenol
- Fenolo
- Hydroxybenzene
- Izal
Show all 23 synonyms
- Monohydroxybenzene
- Monophenol
- Oxybenzene
- Paoscle
- PhOH
- Phenic acid
- Phenol alcohol
- Phenol, liquefied
- Phenole
- Phenyl alcohol
- Phenyl hydrate
- Phenyl hydroxide
- Phenylic acid
- Phenylic alcohol
- carbolic acid
Structure identifiers
- Canonical SMILES
- C1=CC=C(C=C1)O
- Isomeric SMILES
- C1=CC=C(C=C1)O
- InChI
- InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
- InChIKey
- ISWSIDIOOBJBQZ-UHFFFAOYSA-N
- PubChem CID
- 996
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for phenol; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for phenol; not experimental data.
Related molecules
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.