(4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate

C19H13NO3 — CID 2371734

IUPAC(4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
SMILESN#Cc1ccc(COC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C19H13NO3/c20-11-13-5-7-14(8-6-13)12-23-19(22)17-9-15-3-1-2-4-16(15)10-18(17)21/h1-10,21H,12H2
InChIKeyUGEDZXQJCQHVGS-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.77
Rot. Bonds3

About (4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate

(4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate (PubChem CID 2371734) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is (4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
PubChem CID2371734
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name(4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
SMILESN#Cc1ccc(COC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C19H13NO3/c20-11-13-5-7-14(8-6-13)12-23-19(22)17-9-15-3-1-2-4-16(15)10-18(17)21/h1-10,21H,12H2
InChIKeyUGEDZXQJCQHVGS-UHFFFAOYSA-N
XLogP3.77
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate 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

(4-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 977864
(4-cyanophenyl)methyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 5132964
(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 895058
(4-methylsulfanylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 7891532
4-(3-hydroxynaphthalene-2-carbonyl)benzonitrile
CID 10912682
(4-cyanophenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4562658
(4-cyanophenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
CID 7744557
(4-cyanophenyl)methyl 4-hydroxybenzoate
CID 2465166
(4-cyanophenyl)methyl 2-ethylsulfanylbenzoate
CID 8658159
(4-cyanophenyl)methyl 2-[(R)-ethylsulfinyl]benzoate
CID 11916149
(4-cyanophenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate
CID 4602082
(4-cyanophenyl)methyl 2,4-dichloro-5-fluorobenzoate
CID 8648674

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of (4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate (CID 2371734) is (4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for (4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for (4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate is N#Cc1ccc(COC(=O)c2cc3ccccc3cc2O)cc1.
What is the InChIKey of (4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is UGEDZXQJCQHVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c20-11-13-5-7-14(8-6-13)12-23-19(22)17-9-15-3-1-2-4-16(15)10-18(17)21/h1-10,21H,12H2.
What are the key properties of (4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate?
(4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methyl 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 2371734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).