4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile

C18H11NO2 — CID 10912682

IUPAC4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C18H11NO2/c19-11-12-5-7-13(8-6-12)18(21)16-9-14-3-1-2-4-15(14)10-17(16)20/h1-10,20H
InChIKeyNLDFDPQFFZTTFQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.65
Rot. Bonds2

About 4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile

4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile (PubChem CID 10912682) has the molecular formula C18H11NO2 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile.

Molecular Properties

Compound Name4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile
PubChem CID10912682
Molecular FormulaC18H11NO2
Molecular Weight273.29 g/mol
Exact Mass273.08
IUPAC Name4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C18H11NO2/c19-11-12-5-7-13(8-6-12)18(21)16-9-14-3-1-2-4-15(14)10-17(16)20/h1-10,20H
InChIKeyNLDFDPQFFZTTFQ-UHFFFAOYSA-N
XLogP3.65
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxochromene-3-carbonyl)benzonitrile
CID 12777069
4-(1,4-dihydroxynaphthalene-2-carbonyl)benzonitrile
CID 11022571
(4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 2371734
6,7-dibenzoylnaphthalene-2,3-dicarbonitrile
CID 44556911
3-benzoyl-4-bromobenzonitrile
CID 91883965
3-benzoyl-4-fluorobenzonitrile
CID 83393087
3-hydroxynaphthalene-2-carboxamide
CID 19317
CID 69256301
CID 69256301
3-hydroxy-N-[4-(methylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 25469011
2-(2-benzoyl-4-cyanophenyl)acetic acid
CID 91883970
3-(3-hydroxynaphthalene-2-carbonyl)-1H-quinolin-2-one
CID 628875
[4-(4-cyanophenyl)phenyl] naphthalene-2-carboxylate
CID 3930528

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile?
The IUPAC name of 4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile (CID 10912682) is 4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile.
What is the SMILES notation for 4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile?
The canonical SMILES for 4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile is N#Cc1ccc(C(=O)c2cc3ccccc3cc2O)cc1.
What is the InChIKey of 4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile?
The InChIKey is NLDFDPQFFZTTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2/c19-11-12-5-7-13(8-6-12)18(21)16-9-14-3-1-2-4-15(14)10-17(16)20/h1-10,20H.
What are the key properties of 4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile?
4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile has a molecular weight of 273.29 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile is sourced from PubChem (CID 10912682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).