4-[(2-bromophenyl)methyl]benzoic acid

C14H11BrO2 — CID 116927223

IUPAC4-[(2-bromophenyl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cc2ccccc2Br)cc1
InChIInChI=1S/C14H11BrO2/c15-13-4-2-1-3-12(13)9-10-5-7-11(8-6-10)14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyVJMMTDIMAFHIFR-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.74
Rot. Bonds3

About 4-[(2-bromophenyl)methyl]benzoic acid

4-[(2-bromophenyl)methyl]benzoic acid (PubChem CID 116927223) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-bromophenyl)methyl]benzoic acid
PubChem CID116927223
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name4-[(2-bromophenyl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cc2ccccc2Br)cc1
InChIInChI=1S/C14H11BrO2/c15-13-4-2-1-3-12(13)9-10-5-7-11(8-6-10)14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyVJMMTDIMAFHIFR-UHFFFAOYSA-N
XLogP3.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-aminophenyl)methyl]benzoic acid
CID 22360767
aniline;4-benzylbenzoic acid;4-bromobenzoic acid
CID 159252430
1-bromo-2-[(4-tert-butylphenyl)methyl]benzene
CID 171716628
1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 18412167
2-(2-bromophenyl)acetyl bromide
CID 87290551
(2-bromophenyl)methyl 2-benzylbenzoate
CID 7809558
2,3-diamino-3-[4-[(2-bromophenyl)methyl]phenyl]-2-methylpropanamide
CID 174352812
2-[(4-carboxyphenyl)methyl]terephthalic acid
CID 14323682
4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid
CID 45426449
4-[(2-bromophenyl)sulfonylmethyl]benzoic acid
CID 43090958
4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid
CID 175081010
2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid
CID 82378595

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methyl]benzoic acid?
The IUPAC name of 4-[(2-bromophenyl)methyl]benzoic acid (CID 116927223) is 4-[(2-bromophenyl)methyl]benzoic acid.
What is the SMILES notation for 4-[(2-bromophenyl)methyl]benzoic acid?
The canonical SMILES for 4-[(2-bromophenyl)methyl]benzoic acid is O=C(O)c1ccc(Cc2ccccc2Br)cc1.
What is the InChIKey of 4-[(2-bromophenyl)methyl]benzoic acid?
The InChIKey is VJMMTDIMAFHIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c15-13-4-2-1-3-12(13)9-10-5-7-11(8-6-10)14(16)17/h1-8H,9H2,(H,16,17).
What are the key properties of 4-[(2-bromophenyl)methyl]benzoic acid?
4-[(2-bromophenyl)methyl]benzoic acid has a molecular weight of 291.14 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methyl]benzoic acid is sourced from PubChem (CID 116927223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).