2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid

C9H8BrFO3 — CID 117411611

IUPAC2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
SMILESCc1ccc(C(O)C(=O)O)c(Br)c1F
InChIInChI=1S/C9H8BrFO3/c1-4-2-3-5(6(10)7(4)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyJIQAYDSZANLVEW-UHFFFAOYSA-N
MW263.06 g/mol
LogP2.01
Rot. Bonds2

About 2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid

2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid (PubChem CID 117411611) has the molecular formula C9H8BrFO3 and a molecular weight of 263.06 g/mol. Its IUPAC name is 2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
PubChem CID117411611
Molecular FormulaC9H8BrFO3
Molecular Weight263.06 g/mol
Exact Mass261.96
IUPAC Name2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
SMILESCc1ccc(C(O)C(=O)O)c(Br)c1F
InChIInChI=1S/C9H8BrFO3/c1-4-2-3-5(6(10)7(4)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyJIQAYDSZANLVEW-UHFFFAOYSA-N
XLogP2.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic 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

2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid
CID 117455834
2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117447192
2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid
CID 83403424
2-(2-bromo-3-chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 171000572
2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid
CID 117420924
2-(4-bromo-2-fluoro-3-iodophenyl)-2-hydroxyacetic acid
CID 171001481
2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid
CID 130967567
2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131032215
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117447207
2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid
CID 119000982
2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117289043

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid (CID 117411611) is 2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid is Cc1ccc(C(O)C(=O)O)c(Br)c1F.
What is the InChIKey of 2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is JIQAYDSZANLVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO3/c1-4-2-3-5(6(10)7(4)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14).
What are the key properties of 2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid?
2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 263.06 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117411611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).