8-benzyl-2-phenylchromen-4-one

C22H16O2 — CID 69123022

IUPAC8-benzyl-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2c(Cc3ccccc3)cccc12
InChIInChI=1S/C22H16O2/c23-20-15-21(17-10-5-2-6-11-17)24-22-18(12-7-13-19(20)22)14-16-8-3-1-4-9-16/h1-13,15H,14H2
InChIKeyIGDKFPAZTVOOQL-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.05
Rot. Bonds3

About 8-benzyl-2-phenylchromen-4-one

8-benzyl-2-phenylchromen-4-one (PubChem CID 69123022) has the molecular formula C22H16O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 8-benzyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-benzyl-2-phenylchromen-4-one
PubChem CID69123022
Molecular FormulaC22H16O2
Molecular Weight312.37 g/mol
Exact Mass312.12
IUPAC Name8-benzyl-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2c(Cc3ccccc3)cccc12
InChIInChI=1S/C22H16O2/c23-20-15-21(17-10-5-2-6-11-17)24-22-18(12-7-13-19(20)22)14-16-8-3-1-4-9-16/h1-13,15H,14H2
InChIKeyIGDKFPAZTVOOQL-UHFFFAOYSA-N
XLogP5.05
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-benzyl-2-phenylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-phenylchromen-4-one?
The IUPAC name of 8-benzyl-2-phenylchromen-4-one (CID 69123022) is 8-benzyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-benzyl-2-phenylchromen-4-one?
The canonical SMILES for 8-benzyl-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2c(Cc3ccccc3)cccc12.
What is the InChIKey of 8-benzyl-2-phenylchromen-4-one?
The InChIKey is IGDKFPAZTVOOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2/c23-20-15-21(17-10-5-2-6-11-17)24-22-18(12-7-13-19(20)22)14-16-8-3-1-4-9-16/h1-13,15H,14H2.
What are the key properties of 8-benzyl-2-phenylchromen-4-one?
8-benzyl-2-phenylchromen-4-one has a molecular weight of 312.37 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-phenylchromen-4-one is sourced from PubChem (CID 69123022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).