2-chloro-6-methylphenol

C7H7ClO — CID 6898

IUPAC2-chloro-6-methylphenol
SMILESCc1cccc(Cl)c1O
InChIInChI=1S/C7H7ClO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3
InChIKeyYPNZJHFXFVLXSE-UHFFFAOYSA-N
MW142.59 g/mol
LogP2.35
Rot. Bonds

About 2-chloro-6-methylphenol

2-chloro-6-methylphenol (PubChem CID 6898) has the molecular formula C7H7ClO and a molecular weight of 142.59 g/mol. Its IUPAC name is 2-chloro-6-methylphenol.

Molecular Properties

Compound Name2-chloro-6-methylphenol
PubChem CID6898
Molecular FormulaC7H7ClO
Molecular Weight142.59 g/mol
Exact Mass142.02
IUPAC Name2-chloro-6-methylphenol
SMILESCc1cccc(Cl)c1O
InChIInChI=1S/C7H7ClO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3
InChIKeyYPNZJHFXFVLXSE-UHFFFAOYSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-6-methylphenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylphenol?
The IUPAC name of 2-chloro-6-methylphenol (CID 6898) is 2-chloro-6-methylphenol.
What is the SMILES notation for 2-chloro-6-methylphenol?
The canonical SMILES for 2-chloro-6-methylphenol is Cc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-methylphenol?
The InChIKey is YPNZJHFXFVLXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3.
What are the key properties of 2-chloro-6-methylphenol?
2-chloro-6-methylphenol has a molecular weight of 142.59 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylphenol is sourced from PubChem (CID 6898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).