4-bromo-2-methylphenol

C7H7BrO — CID 16896

IUPAC4-bromo-2-methylphenol
SMILESCc1cc(Br)ccc1O
InChIInChI=1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKeyIWJGMJHAIUBWKT-UHFFFAOYSA-N
MW187.04 g/mol
LogP2.46
Rot. Bonds

About 4-bromo-2-methylphenol

4-bromo-2-methylphenol (PubChem CID 16896) has the molecular formula C7H7BrO and a molecular weight of 187.04 g/mol. Its IUPAC name is 4-bromo-2-methylphenol.

Molecular Properties

Compound Name4-bromo-2-methylphenol
PubChem CID16896
Molecular FormulaC7H7BrO
Molecular Weight187.04 g/mol
Exact Mass185.97
IUPAC Name4-bromo-2-methylphenol
SMILESCc1cc(Br)ccc1O
InChIInChI=1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKeyIWJGMJHAIUBWKT-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-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-Bromophenol
CID 7808
4-Bromo-2,6-dimethylphenol
CID 16919
p-Cresol, 2,6-dibromo-
CID 17078
2-Bromo-4-methylphenol
CID 23109
4,4',6-Tribromo-2,2'-Biphenol
CID 50899959
Vermella
CID 203726
5-Bromo-2-hydroxybenzonitrile
CID 2757014
4-Bromo-2,6-di-tert-butylphenol
CID 70829
2,4-Dibromo-6-methylphenol
CID 11861
2,2'-Methylenebis(4-bromophenol)
CID 3061033
4-Bromo-m-cresol
CID 72857
5-Bromo-2-hydroxybenzyl alcohol
CID 75342

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methylphenol?
The IUPAC name of 4-bromo-2-methylphenol (CID 16896) is 4-bromo-2-methylphenol.
What is the SMILES notation for 4-bromo-2-methylphenol?
The canonical SMILES for 4-bromo-2-methylphenol is Cc1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-methylphenol?
The InChIKey is IWJGMJHAIUBWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3.
What are the key properties of 4-bromo-2-methylphenol?
4-bromo-2-methylphenol has a molecular weight of 187.04 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methylphenol is sourced from PubChem (CID 16896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).