2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid

C14H11BrO3 — CID 67045068

IUPAC2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid
SMILESO=C(O)c1ccccc1Cc1ccc(Br)cc1O
InChIInChI=1S/C14H11BrO3/c15-11-6-5-10(13(16)8-11)7-9-3-1-2-4-12(9)14(17)18/h1-6,8,16H,7H2,(H,17,18)
InChIKeyGJYVYTWFSQFJCO-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.44
Rot. Bonds3

About 2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid

2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid (PubChem CID 67045068) has the molecular formula C14H11BrO3 and a molecular weight of 307.14 g/mol. Its IUPAC name is 2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid
PubChem CID67045068
Molecular FormulaC14H11BrO3
Molecular Weight307.14 g/mol
Exact Mass305.99
IUPAC Name2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid
SMILESO=C(O)c1ccccc1Cc1ccc(Br)cc1O
InChIInChI=1S/C14H11BrO3/c15-11-6-5-10(13(16)8-11)7-9-3-1-2-4-12(9)14(17)18/h1-6,8,16H,7H2,(H,17,18)
InChIKeyGJYVYTWFSQFJCO-UHFFFAOYSA-N
XLogP3.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[(2,4-dibromophenyl)methyl]benzoic acid
CID 19612076
2-[[4-(dibutylamino)-2-hydroxyphenyl]methyl]benzoic acid
CID 150857297
2-[2-(4-bromophenyl)ethyl]benzoic acid
CID 11449587
4-[(2-carboxyphenyl)methyl]-3-chlorosulfonylbenzoic acid
CID 163841907
5-bromo-2-(carboxymethyl)benzoic acid
CID 10634987
2-[(4-amino-3-hydroxyphenyl)methyl]benzoic acid
CID 175137098
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid
CID 10729737
2-[(4-bromo-2-chlorophenyl)methylsulfanyl]benzoic acid
CID 113470923
2-[(5-bromo-2-chloroanilino)methyl]benzoic acid
CID 103249817
2-(2,4-dibromophenyl)benzoic acid
CID 175057498
4-[(4-bromophenyl)methyl]benzene-1,3-dicarboxylic acid
CID 174441354

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid?
The IUPAC name of 2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid (CID 67045068) is 2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid.
What is the SMILES notation for 2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid?
The canonical SMILES for 2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid is O=C(O)c1ccccc1Cc1ccc(Br)cc1O.
What is the InChIKey of 2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid?
The InChIKey is GJYVYTWFSQFJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3/c15-11-6-5-10(13(16)8-11)7-9-3-1-2-4-12(9)14(17)18/h1-6,8,16H,7H2,(H,17,18).
What are the key properties of 2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid?
2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid has a molecular weight of 307.14 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid is sourced from PubChem (CID 67045068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).