2-(2-bromophenyl)-5-methylbenzoic acid

C14H11BrO2 — CID 115503534

IUPAC2-(2-bromophenyl)-5-methylbenzoic acid
SMILESCc1ccc(-c2ccccc2Br)c(C(=O)O)c1
InChIInChI=1S/C14H11BrO2/c1-9-6-7-10(12(8-9)14(16)17)11-4-2-3-5-13(11)15/h2-8H,1H3,(H,16,17)
InChIKeyZJHKJBALJSKMDL-UHFFFAOYSA-N
MW291.14 g/mol
LogP4.12
Rot. Bonds2

About 2-(2-bromophenyl)-5-methylbenzoic acid

2-(2-bromophenyl)-5-methylbenzoic acid (PubChem CID 115503534) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-methylbenzoic acid
PubChem CID115503534
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name2-(2-bromophenyl)-5-methylbenzoic acid
SMILESCc1ccc(-c2ccccc2Br)c(C(=O)O)c1
InChIInChI=1S/C14H11BrO2/c1-9-6-7-10(12(8-9)14(16)17)11-4-2-3-5-13(11)15/h2-8H,1H3,(H,16,17)
InChIKeyZJHKJBALJSKMDL-UHFFFAOYSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-methylbenzoic acid;ethane
CID 142935649
2-(2,3-difluorophenyl)-5-methylbenzoic acid
CID 53225918
5-bromo-2-(2,4-dimethylphenyl)benzoic acid
CID 114032341
2-(2,4-dibromophenyl)benzoic acid
CID 175057498
2-[2-(2-methoxyethoxy)phenyl]-5-methylbenzoic acid
CID 104660750
2-bromo-4-methylbenzoic acid;ethane
CID 143170535
methyl 5-methyl-2-phenylbenzoate;5-methyl-2-phenylbenzoic acid
CID 70270036
5-(2-bromophenyl)pyridazine-4-carboxylic acid
CID 117127535
1-(2-bromophenyl)-2-methoxy-4-methylbenzene
CID 171366737
2-(3,4-diethylphenyl)-5-methylbenzoic acid
CID 115482487
2-(2-bromophenyl)-1-fluoro-4-methylbenzene
CID 90775083
3-[2-(3-carboxy-2-methylphenyl)-4-methylphenyl]-2-methylbenzoic acid
CID 157377441

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-methylbenzoic acid?
The IUPAC name of 2-(2-bromophenyl)-5-methylbenzoic acid (CID 115503534) is 2-(2-bromophenyl)-5-methylbenzoic acid.
What is the SMILES notation for 2-(2-bromophenyl)-5-methylbenzoic acid?
The canonical SMILES for 2-(2-bromophenyl)-5-methylbenzoic acid is Cc1ccc(-c2ccccc2Br)c(C(=O)O)c1.
What is the InChIKey of 2-(2-bromophenyl)-5-methylbenzoic acid?
The InChIKey is ZJHKJBALJSKMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c1-9-6-7-10(12(8-9)14(16)17)11-4-2-3-5-13(11)15/h2-8H,1H3,(H,16,17).
What are the key properties of 2-(2-bromophenyl)-5-methylbenzoic acid?
2-(2-bromophenyl)-5-methylbenzoic acid has a molecular weight of 291.14 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-methylbenzoic acid is sourced from PubChem (CID 115503534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).