4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one

C25H22O3 — CID 54721778

IUPAC4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1CCc1ccccc1
InChIInChI=1S/C25H22O3/c26-23-18-25(20-12-6-2-7-13-20,21-14-8-3-9-15-21)28-24(27)22(23)17-16-19-10-4-1-5-11-19/h1-15,26H,16-18H2
InChIKeyPBBBXISZVJJMKO-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.32
Rot. Bonds5

About 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one

4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one (PubChem CID 54721778) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one.

Molecular Properties

Compound Name4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one
PubChem CID54721778
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Name4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1CCc1ccccc1
InChIInChI=1S/C25H22O3/c26-23-18-25(20-12-6-2-7-13-20,21-14-8-3-9-15-21)28-24(27)22(23)17-16-19-10-4-1-5-11-19/h1-15,26H,16-18H2
InChIKeyPBBBXISZVJJMKO-UHFFFAOYSA-N
XLogP5.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one 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

5-[[3-(chloromethyl)phenyl]methyl]-4-hydroxy-2,2-diphenyl-3H-pyran-6-one
CID 54721563
4-hydroxy-5-(naphthalen-1-ylmethyl)-2,2-diphenyl-3H-pyran-6-one
CID 54721651
4-hydroxy-5-[(2-methylphenyl)methyl]-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one
CID 54721609
5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one
CID 54721641
4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one
CID 54682301
5-[(3-aminophenyl)methyl]-4-hydroxy-2,2-bis(2-phenylethyl)-3H-pyran-6-one
CID 54711644
5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one
CID 165363421
4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one
CID 67792206
5-benzylsulfanyl-4-hydroxy-2-(2-phenylethyl)-2-pyridin-4-yl-3H-pyran-6-one
CID 54721710
5-benzylsulfanyl-4-hydroxy-2-phenyl-2-[2-(1H-pyrrol-2-yl)ethyl]-3H-pyran-6-one
CID 54721637
benzene;2-phenylethylbenzene
CID 18982764
2-hexyl-4-hydroxy-2-phenyl-5-(2-phenylethylsulfanyl)-3H-pyran-6-one
CID 54688990

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one?
The IUPAC name of 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one (CID 54721778) is 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one.
What is the SMILES notation for 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one?
The canonical SMILES for 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one is O=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1CCc1ccccc1.
What is the InChIKey of 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one?
The InChIKey is PBBBXISZVJJMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O3/c26-23-18-25(20-12-6-2-7-13-20,21-14-8-3-9-15-21)28-24(27)22(23)17-16-19-10-4-1-5-11-19/h1-15,26H,16-18H2.
What are the key properties of 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one?
4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one has a molecular weight of 370.45 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one is sourced from PubChem (CID 54721778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).