2-hydroxy-4-naphthalen-2-ylbenzoic acid

C17H12O3 — CID 53226801

IUPAC2-hydroxy-4-naphthalen-2-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccc3ccccc3c2)cc1O
InChIInChI=1S/C17H12O3/c18-16-10-14(7-8-15(16)17(19)20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,18H,(H,19,20)
InChIKeyBJMXBYRALABPCA-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.91
Rot. Bonds2

About 2-hydroxy-4-naphthalen-2-ylbenzoic acid

2-hydroxy-4-naphthalen-2-ylbenzoic acid (PubChem CID 53226801) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-hydroxy-4-naphthalen-2-ylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-naphthalen-2-ylbenzoic acid
PubChem CID53226801
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name2-hydroxy-4-naphthalen-2-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccc3ccccc3c2)cc1O
InChIInChI=1S/C17H12O3/c18-16-10-14(7-8-15(16)17(19)20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,18H,(H,19,20)
InChIKeyBJMXBYRALABPCA-UHFFFAOYSA-N
XLogP3.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-4-(4-methylphenyl)benzoic acid
CID 53224890
CID 69256301
CID 69256301
2-(2-hydroxy-4-phenylbenzoyl)benzoic acid
CID 18006881
4-(3-aminophenyl)-2-hydroxybenzoic acid
CID 53224908
2-hydroxy-4-pyridin-4-ylbenzoic acid
CID 22710668
4-(3,4-difluorophenyl)-2-hydroxybenzoic acid
CID 53225879
2-hydroxy-4-phenylbenzenecarbothioic S-acid
CID 174612922
2-hydroxy-4-phenylbenzamide
CID 19349044
4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid
CID 53227307
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid
CID 167952016
anthracene;naphthalene-1,4,5,8-tetracarboxylic acid
CID 160688323

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-naphthalen-2-ylbenzoic acid?
The IUPAC name of 2-hydroxy-4-naphthalen-2-ylbenzoic acid (CID 53226801) is 2-hydroxy-4-naphthalen-2-ylbenzoic acid.
What is the SMILES notation for 2-hydroxy-4-naphthalen-2-ylbenzoic acid?
The canonical SMILES for 2-hydroxy-4-naphthalen-2-ylbenzoic acid is O=C(O)c1ccc(-c2ccc3ccccc3c2)cc1O.
What is the InChIKey of 2-hydroxy-4-naphthalen-2-ylbenzoic acid?
The InChIKey is BJMXBYRALABPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c18-16-10-14(7-8-15(16)17(19)20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,18H,(H,19,20).
What are the key properties of 2-hydroxy-4-naphthalen-2-ylbenzoic acid?
2-hydroxy-4-naphthalen-2-ylbenzoic acid has a molecular weight of 264.28 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-naphthalen-2-ylbenzoic acid is sourced from PubChem (CID 53226801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).