4-benzyl-3-hydroxynaphthalene-2-carboxylic acid

C18H14O3 — CID 22237045

IUPAC4-benzyl-3-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2c(Cc2ccccc2)c1O
InChIInChI=1S/C18H14O3/c19-17-15(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)11-16(17)18(20)21/h1-9,11,19H,10H2,(H,20,21)
InChIKeyIHYOYFVKBXZDJE-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.83
Rot. Bonds3

About 4-benzyl-3-hydroxynaphthalene-2-carboxylic acid

4-benzyl-3-hydroxynaphthalene-2-carboxylic acid (PubChem CID 22237045) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-benzyl-3-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-3-hydroxynaphthalene-2-carboxylic acid
PubChem CID22237045
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name4-benzyl-3-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2c(Cc2ccccc2)c1O
InChIInChI=1S/C18H14O3/c19-17-15(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)11-16(17)18(20)21/h1-9,11,19H,10H2,(H,20,21)
InChIKeyIHYOYFVKBXZDJE-UHFFFAOYSA-N
XLogP3.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;oxalic acid
CID 69083270
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;propan-2-one
CID 69422292
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-hydroxybenzoic acid
CID 68631677
4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
CID 141486602
bis(4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid);tetrakis(N,N-dimethylformamide)
CID 139194967
4-[[3-carboxy-2-(2-carboxybenzoyl)oxynaphthalen-1-yl]methyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 54281943
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
CID 68984156
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-(methylamino)-1-phenylpropan-1-ol
CID 68984061
4-[[3-(butylcarbamoyl)-2-hydroxynaphthalen-1-yl]methyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 102510581
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate
CID 54702486

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 4-benzyl-3-hydroxynaphthalene-2-carboxylic acid (CID 22237045) is 4-benzyl-3-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-benzyl-3-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4-benzyl-3-hydroxynaphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2c(Cc2ccccc2)c1O.
What is the InChIKey of 4-benzyl-3-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is IHYOYFVKBXZDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c19-17-15(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)11-16(17)18(20)21/h1-9,11,19H,10H2,(H,20,21).
What are the key properties of 4-benzyl-3-hydroxynaphthalene-2-carboxylic acid?
4-benzyl-3-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 22237045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).