[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate

C25H18O3 — CID 7698509

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H18O3/c26-24(21-13-10-20(11-14-21)18-6-2-1-3-7-18)17-28-25(27)23-15-12-19-8-4-5-9-22(19)16-23/h1-16H,17H2
InChIKeyHXVUARCTQVAWAV-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.55
Rot. Bonds5

About [2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate

[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate (PubChem CID 7698509) has the molecular formula C25H18O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate
PubChem CID7698509
Molecular FormulaC25H18O3
Molecular Weight366.42 g/mol
Exact Mass366.13
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H18O3/c26-24(21-13-10-20(11-14-21)18-6-2-1-3-7-18)17-28-25(27)23-15-12-19-8-4-5-9-22(19)16-23/h1-16H,17H2
InChIKeyHXVUARCTQVAWAV-UHFFFAOYSA-N
XLogP5.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-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

[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
CID 795003
[2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate
CID 2505227
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23995291
[2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 16568827
[2-oxo-2-(4-phenylphenyl)ethyl] 4-[3-[2-(naphthalene-2-carbonyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21171413
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1216905
(2-naphthalen-2-yl-2-oxoethyl) 3,4,5-trimethoxybenzoate
CID 40612973
(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate
CID 888123
(2-naphthalen-2-yl-2-oxoethyl) 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate
CID 23744608
[2-oxo-2-(4-phenylphenyl)ethyl] 4-butoxy-3-methoxybenzoate
CID 5183525
phenacyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2883034
[2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507385

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate (CID 7698509) is [2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate is O=C(COC(=O)c1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate?
The InChIKey is HXVUARCTQVAWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O3/c26-24(21-13-10-20(11-14-21)18-6-2-1-3-7-18)17-28-25(27)23-15-12-19-8-4-5-9-22(19)16-23/h1-16H,17H2.
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate?
[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate is sourced from PubChem (CID 7698509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).