4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid

C18H12O4 — CID 154089670

IUPAC4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)c2ccccc2)c2ccccc2c1O
InChIInChI=1S/C18H12O4/c19-16(11-6-2-1-3-7-11)14-10-15(18(21)22)17(20)13-9-5-4-8-12(13)14/h1-10,20H,(H,21,22)
InChIKeyGNCBBRRQCALBHI-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.47
Rot. Bonds3

About 4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid

4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid (PubChem CID 154089670) has the molecular formula C18H12O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid
PubChem CID154089670
Molecular FormulaC18H12O4
Molecular Weight292.29 g/mol
Exact Mass292.07
IUPAC Name4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)c2ccccc2)c2ccccc2c1O
InChIInChI=1S/C18H12O4/c19-16(11-6-2-1-3-7-11)14-10-15(18(21)22)17(20)13-9-5-4-8-12(13)14/h1-10,20H,(H,21,22)
InChIKeyGNCBBRRQCALBHI-UHFFFAOYSA-N
XLogP3.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-benzoyl-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

(1,4-dihydroxynaphthalen-2-yl)-phenylmethanone
CID 11277063
3-amino-4-hydroxynaphthalene-1-carboxylic acid
CID 45089646
1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 20521545
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
CID 19877064
2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone
CID 19106285
4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid
CID 174875229
4-[[3-(dihydroxymethyl)-4-hydroxynaphthalen-1-yl]methyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 18684440
CID 137239113
CID 137239113
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
naphthalene-1,4-dicarboxylic acid;vanadium
CID 175565757

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid (CID 154089670) is 4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid is O=C(O)c1cc(C(=O)c2ccccc2)c2ccccc2c1O.
What is the InChIKey of 4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is GNCBBRRQCALBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O4/c19-16(11-6-2-1-3-7-11)14-10-15(18(21)22)17(20)13-9-5-4-8-12(13)14/h1-10,20H,(H,21,22).
What are the key properties of 4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid?
4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 154089670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).