3-methylphenol

C7H8O — CID 342

IUPAC3-methylphenol
SMILESCc1cccc(O)c1
InChIInChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChIKeyRLSSMJSEOOYNOY-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.70
Rot. Bonds

About 3-methylphenol

3-methylphenol (PubChem CID 342) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 3-methylphenol.

Molecular Properties

Compound Name3-methylphenol
PubChem CID342
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name3-methylphenol
SMILESCc1cccc(O)c1
InChIInChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChIKeyRLSSMJSEOOYNOY-UHFFFAOYSA-N
XLogP1.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methylphenol 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
O-Cresol
CID 335
2,4-Dimethylphenol
CID 7771
Tert-Butylhydroquinone
CID 16043
Salicyl Alcohol
CID 5146
4-tert-Butylphenol
CID 7393
Tyrosol
CID 10393
4-Nonylphenol
CID 1752
2,5-Dimethylphenol
CID 7267

Frequently Asked Questions

What is the IUPAC name of 3-methylphenol?
The IUPAC name of 3-methylphenol (CID 342) is 3-methylphenol.
What is the SMILES notation for 3-methylphenol?
The canonical SMILES for 3-methylphenol is Cc1cccc(O)c1.
What is the InChIKey of 3-methylphenol?
The InChIKey is RLSSMJSEOOYNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3.
What are the key properties of 3-methylphenol?
3-methylphenol has a molecular weight of 108.14 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylphenol is sourced from PubChem (CID 342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).