ethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate

C19H15ClO3 — CID 101498227

IUPACethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(Cl)c2)c2ccccc2c1O
InChIInChI=1S/C19H15ClO3/c1-2-23-19(22)17-11-16(12-6-5-7-13(20)10-12)14-8-3-4-9-15(14)18(17)21/h3-11,21H,2H2,1H3
InChIKeyNDAQIBKMFCIHRZ-UHFFFAOYSA-N
MW326.78 g/mol
LogP5.04
Rot. Bonds3

About ethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate

ethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate (PubChem CID 101498227) has the molecular formula C19H15ClO3 and a molecular weight of 326.78 g/mol. Its IUPAC name is ethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate
PubChem CID101498227
Molecular FormulaC19H15ClO3
Molecular Weight326.78 g/mol
Exact Mass326.07
IUPAC Nameethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(Cl)c2)c2ccccc2c1O
InChIInChI=1S/C19H15ClO3/c1-2-23-19(22)17-11-16(12-6-5-7-13(20)10-12)14-8-3-4-9-15(14)18(17)21/h3-11,21H,2H2,1H3
InChIKeyNDAQIBKMFCIHRZ-UHFFFAOYSA-N
XLogP5.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.78
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(3-chlorophenyl)-1-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

ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate
CID 152738087
ethyl 5-(3-chlorophenyl)indolo[2,1-a]isoquinoline-12-carboxylate
CID 142752138
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate
CID 121205199
ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate
CID 116532839
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
ethyl 3-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10041419
ethyl 2-(3-chlorophenyl)-4-propan-2-ylpyrimidine-5-carboxylate
CID 102973010
ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate
CID 116533326
ethyl 5-chloro-2-(2-methylphenyl)benzoate
CID 142890235
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
ethyl 2-(2,4-dichlorophenyl)-5-phenyl-4-propanoylbenzoate
CID 142540959

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate?
The IUPAC name of ethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate (CID 101498227) is ethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for ethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate is CCOC(=O)c1cc(-c2cccc(Cl)c2)c2ccccc2c1O.
What is the InChIKey of ethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate?
The InChIKey is NDAQIBKMFCIHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO3/c1-2-23-19(22)17-11-16(12-6-5-7-13(20)10-12)14-8-3-4-9-15(14)18(17)21/h3-11,21H,2H2,1H3.
What are the key properties of ethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate?
ethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate has a molecular weight of 326.78 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 101498227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).