ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate

C19H16O3 — CID 13200815

IUPACethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
SMILESCCOC(=O)c1c(O)cc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H16O3/c1-2-22-19(21)18-15-11-7-6-10-14(15)16(12-17(18)20)13-8-4-3-5-9-13/h3-12,20H,2H2,1H3
InChIKeyHWPDFOKMIFMNIL-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.39
Rot. Bonds3

About ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate

ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate (PubChem CID 13200815) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
PubChem CID13200815
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Nameethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
SMILESCCOC(=O)c1c(O)cc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H16O3/c1-2-22-19(21)18-15-11-7-6-10-14(15)16(12-17(18)20)13-8-4-3-5-9-13/h3-12,20H,2H2,1H3
InChIKeyHWPDFOKMIFMNIL-UHFFFAOYSA-N
XLogP4.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-hydroxy-4-phenylnaphthalene-1-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

diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 3-(hydroxymethyl)-4-phenylbenzoate
CID 175285758
ethyl 2-aminoazulene-1-carboxylate
CID 11458568
ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 869250
ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate
CID 152738087
ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
CID 2763622
ethyl 2-amino-3-nitro-4,6-diphenylbenzoate
CID 53486536
ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 678599
diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
ethyl 1-hydroxy-5,7-dimethoxy-3-phenylnaphthalene-2-carboxylate
CID 132539283
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate?
The IUPAC name of ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate (CID 13200815) is ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate is CCOC(=O)c1c(O)cc(-c2ccccc2)c2ccccc12.
What is the InChIKey of ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate?
The InChIKey is HWPDFOKMIFMNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-2-22-19(21)18-15-11-7-6-10-14(15)16(12-17(18)20)13-8-4-3-5-9-13/h3-12,20H,2H2,1H3.
What are the key properties of ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate?
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate is sourced from PubChem (CID 13200815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).