2-(2-bromo-6-methylphenyl)acetic acid

C9H9BrO2 — CID 84736031

IUPAC2-(2-bromo-6-methylphenyl)acetic acid
SMILESCc1cccc(Br)c1CC(=O)O
InChIInChI=1S/C9H9BrO2/c1-6-3-2-4-8(10)7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyBJJVAMKQCWZGLF-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.38
Rot. Bonds2

About 2-(2-bromo-6-methylphenyl)acetic acid

2-(2-bromo-6-methylphenyl)acetic acid (PubChem CID 84736031) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 2-(2-bromo-6-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-6-methylphenyl)acetic acid
PubChem CID84736031
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name2-(2-bromo-6-methylphenyl)acetic acid
SMILESCc1cccc(Br)c1CC(=O)O
InChIInChI=1S/C9H9BrO2/c1-6-3-2-4-8(10)7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyBJJVAMKQCWZGLF-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromo-6-methylphenyl)acetic acid 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

1-(2-bromo-6-methylphenyl)-3-chloropropan-2-one
CID 130766658
ethyl 2-(2-bromo-6-methylphenyl)acetate
CID 134615175
2-(6-bromo-2,3-dimethylphenyl)acetic acid
CID 84703622
2-(2-bromo-6-chlorophenyl)acetic acid
CID 53446365
diiodovanadium;2-(2,6-dimethylphenyl)acetic acid;(2,6-dimethylphenyl)methanol
CID 162055260
2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid
CID 83903987
(2-bromo-6-methylphenyl)methanethiol
CID 58959751
2-(2-methylphenyl)acetic acid
CID 67440217
2-[2-(3-chloropropanoyl)-6-methylphenyl]acetic acid
CID 118802856
(2-bromo-6-methylphenyl)methanesulfonamide
CID 130648675
2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 82132502
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-methylphenyl)acetic acid?
The IUPAC name of 2-(2-bromo-6-methylphenyl)acetic acid (CID 84736031) is 2-(2-bromo-6-methylphenyl)acetic acid.
What is the SMILES notation for 2-(2-bromo-6-methylphenyl)acetic acid?
The canonical SMILES for 2-(2-bromo-6-methylphenyl)acetic acid is Cc1cccc(Br)c1CC(=O)O.
What is the InChIKey of 2-(2-bromo-6-methylphenyl)acetic acid?
The InChIKey is BJJVAMKQCWZGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c1-6-3-2-4-8(10)7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 2-(2-bromo-6-methylphenyl)acetic acid?
2-(2-bromo-6-methylphenyl)acetic acid has a molecular weight of 229.07 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-methylphenyl)acetic acid is sourced from PubChem (CID 84736031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).