4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid

C17H11BrO3 — CID 174875229

IUPAC4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)cc2)c2ccccc2c1O
InChIInChI=1S/C17H11BrO3/c18-11-7-5-10(6-8-11)14-9-15(17(20)21)16(19)13-4-2-1-3-12(13)14/h1-9,19H,(H,20,21)
InChIKeyFTMOGWWZPYCBPN-UHFFFAOYSA-N
MW343.18 g/mol
LogP4.67
Rot. Bonds2

About 4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid

4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid (PubChem CID 174875229) has the molecular formula C17H11BrO3 and a molecular weight of 343.18 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid
PubChem CID174875229
Molecular FormulaC17H11BrO3
Molecular Weight343.18 g/mol
Exact Mass341.99
IUPAC Name4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)cc2)c2ccccc2c1O
InChIInChI=1S/C17H11BrO3/c18-11-7-5-10(6-8-11)14-9-15(17(20)21)16(19)13-4-2-1-3-12(13)14/h1-9,19H,(H,20,21)
InChIKeyFTMOGWWZPYCBPN-UHFFFAOYSA-N
XLogP4.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic 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

5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride
CID 138584228
1-hydroxy-N,4-diphenylnaphthalene-2-carboxamide
CID 141440048
4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid
CID 154089670
1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid
CID 174552806
2-(4-bromophenyl)-1,4-diphenylnaphthalene
CID 141481933
4-(4-bromophenyl)quinoline-2-carboxamide
CID 71566349
1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 20521545
calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride
CID 173370957
1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid
CID 174792503
1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid
CID 136679288
bis[2-(4-bromophenyl)-4-methylnaphthalen-1-yl]methanone
CID 151483377
2-(4-bromophenyl)benzamide
CID 15982087

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid (CID 174875229) is 4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid is O=C(O)c1cc(-c2ccc(Br)cc2)c2ccccc2c1O.
What is the InChIKey of 4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is FTMOGWWZPYCBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO3/c18-11-7-5-10(6-8-11)14-9-15(17(20)21)16(19)13-4-2-1-3-12(13)14/h1-9,19H,(H,20,21).
What are the key properties of 4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid?
4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 343.18 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 174875229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).