2-bromo-4-chloro-6-methylphenol

C7H6BrClO — CID 613789

IUPAC2-bromo-4-chloro-6-methylphenol
SMILESCc1cc(Cl)cc(Br)c1O
InChIInChI=1S/C7H6BrClO/c1-4-2-5(9)3-6(8)7(4)10/h2-3,10H,1H3
InChIKeyAAIDNHOUZKFBTC-UHFFFAOYSA-N
MW221.48 g/mol
LogP3.12
Rot. Bonds

About 2-bromo-4-chloro-6-methylphenol

2-bromo-4-chloro-6-methylphenol (PubChem CID 613789) has the molecular formula C7H6BrClO and a molecular weight of 221.48 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-methylphenol.

Molecular Properties

Compound Name2-bromo-4-chloro-6-methylphenol
PubChem CID613789
Molecular FormulaC7H6BrClO
Molecular Weight221.48 g/mol
Exact Mass219.93
IUPAC Name2-bromo-4-chloro-6-methylphenol
SMILESCc1cc(Cl)cc(Br)c1O
InChIInChI=1S/C7H6BrClO/c1-4-2-5(9)3-6(8)7(4)10/h2-3,10H,1H3
InChIKeyAAIDNHOUZKFBTC-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-4-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-bromo-4-chloro-6-methylphenol?
The IUPAC name of 2-bromo-4-chloro-6-methylphenol (CID 613789) is 2-bromo-4-chloro-6-methylphenol.
What is the SMILES notation for 2-bromo-4-chloro-6-methylphenol?
The canonical SMILES for 2-bromo-4-chloro-6-methylphenol is Cc1cc(Cl)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-chloro-6-methylphenol?
The InChIKey is AAIDNHOUZKFBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO/c1-4-2-5(9)3-6(8)7(4)10/h2-3,10H,1H3.
What are the key properties of 2-bromo-4-chloro-6-methylphenol?
2-bromo-4-chloro-6-methylphenol has a molecular weight of 221.48 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-methylphenol is sourced from PubChem (CID 613789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).