2-(4-bromo-2-chloro-5-methylphenyl)acetic acid

C9H8BrClO2 — CID 121417177

IUPAC2-(4-bromo-2-chloro-5-methylphenyl)acetic acid
SMILESCc1cc(CC(=O)O)c(Cl)cc1Br
InChIInChI=1S/C9H8BrClO2/c1-5-2-6(3-9(12)13)8(11)4-7(5)10/h2,4H,3H2,1H3,(H,12,13)
InChIKeyCGUCFWJVUSMRCH-UHFFFAOYSA-N
MW263.52 g/mol
LogP3.04
Rot. Bonds2

About 2-(4-bromo-2-chloro-5-methylphenyl)acetic acid

2-(4-bromo-2-chloro-5-methylphenyl)acetic acid (PubChem CID 121417177) has the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-5-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-5-methylphenyl)acetic acid
PubChem CID121417177
Molecular FormulaC9H8BrClO2
Molecular Weight263.52 g/mol
Exact Mass261.94
IUPAC Name2-(4-bromo-2-chloro-5-methylphenyl)acetic acid
SMILESCc1cc(CC(=O)O)c(Cl)cc1Br
InChIInChI=1S/C9H8BrClO2/c1-5-2-6(3-9(12)13)8(11)4-7(5)10/h2,4H,3H2,1H3,(H,12,13)
InChIKeyCGUCFWJVUSMRCH-UHFFFAOYSA-N
XLogP3.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
4-bromo-2-chloro-5-methylbenzoyl chloride
CID 168975431
(5-bromo-2-chloro-4-methylphenyl)methyl acetate
CID 89492645
2-(3-bromo-5-chloro-4-methylphenyl)acetic acid
CID 171005978
2-[5-(bromomethyl)-2,4-dichlorophenyl]acetic acid
CID 171020640
2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid
CID 84811630
2-(4-bromo-5-methyl-2-pyridinyl)acetic acid
CID 118799239
2-(2,4,5-tribromophenyl)acetic acid
CID 119010967
2-[2-(bromomethyl)-4,5-dimethylphenyl]acetic acid
CID 171024502
2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
CID 83901744
2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 59141966

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-5-methylphenyl)acetic acid?
The IUPAC name of 2-(4-bromo-2-chloro-5-methylphenyl)acetic acid (CID 121417177) is 2-(4-bromo-2-chloro-5-methylphenyl)acetic acid.
What is the SMILES notation for 2-(4-bromo-2-chloro-5-methylphenyl)acetic acid?
The canonical SMILES for 2-(4-bromo-2-chloro-5-methylphenyl)acetic acid is Cc1cc(CC(=O)O)c(Cl)cc1Br.
What is the InChIKey of 2-(4-bromo-2-chloro-5-methylphenyl)acetic acid?
The InChIKey is CGUCFWJVUSMRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2/c1-5-2-6(3-9(12)13)8(11)4-7(5)10/h2,4H,3H2,1H3,(H,12,13).
What are the key properties of 2-(4-bromo-2-chloro-5-methylphenyl)acetic acid?
2-(4-bromo-2-chloro-5-methylphenyl)acetic acid has a molecular weight of 263.52 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-5-methylphenyl)acetic acid is sourced from PubChem (CID 121417177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).