O-Cresol

C7H8O — CID 335

IUPAC2-methylphenol
SMILESCC1=CC=CC=C1O
InChIInChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
InChIKeyQWVGKYWNOKOFNN-UHFFFAOYSA-N
MW108.14 g/mol
LogP2.00
Rot. Bonds

About O-Cresol

O-Cresol (PubChem CID 335) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-methylphenol.

Molecular Properties

Compound NameO-Cresol
PubChem CID335
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name2-methylphenol
SMILESCC1=CC=CC=C1O
InChIInChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
InChIKeyQWVGKYWNOKOFNN-UHFFFAOYSA-N
XLogP2.00
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity70

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze O-Cresol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-Pentylphenol
CID 6643
Phenol
CID 996
P-Cresol
CID 2879
Thymol
CID 6989
Diethylstilbestrol
CID 448537
M-Cresol
CID 342
2,4-Dimethylphenol
CID 7771
Tert-Butylhydroquinone
CID 16043
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
Salicyl Alcohol
CID 5146

Frequently Asked Questions

What is the IUPAC name of O-Cresol?
The IUPAC name of O-Cresol (CID 335) is 2-methylphenol.
What is the SMILES notation for O-Cresol?
The canonical SMILES for O-Cresol is CC1=CC=CC=C1O.
What is the InChIKey of O-Cresol?
The InChIKey is QWVGKYWNOKOFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3.
What are the key properties of O-Cresol?
O-Cresol has a molecular weight of 108.14 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for O-Cresol is sourced from PubChem (CID 335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).