6-benzyl-2-phenylchromen-4-one

C22H16O2 — CID 90747479

IUPAC6-benzyl-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2ccc(Cc3ccccc3)cc12
InChIInChI=1S/C22H16O2/c23-20-15-22(18-9-5-2-6-10-18)24-21-12-11-17(14-19(20)21)13-16-7-3-1-4-8-16/h1-12,14-15H,13H2
InChIKeyFIORUDRWCDGNSK-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.05
Rot. Bonds3

About 6-benzyl-2-phenylchromen-4-one

6-benzyl-2-phenylchromen-4-one (PubChem CID 90747479) has the molecular formula C22H16O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-benzyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-benzyl-2-phenylchromen-4-one
PubChem CID90747479
Molecular FormulaC22H16O2
Molecular Weight312.37 g/mol
Exact Mass312.12
IUPAC Name6-benzyl-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2ccc(Cc3ccccc3)cc12
InChIInChI=1S/C22H16O2/c23-20-15-22(18-9-5-2-6-10-18)24-21-12-11-17(14-19(20)21)13-16-7-3-1-4-8-16/h1-12,14-15H,13H2
InChIKeyFIORUDRWCDGNSK-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

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-phenylchromen-4-one?
The IUPAC name of 6-benzyl-2-phenylchromen-4-one (CID 90747479) is 6-benzyl-2-phenylchromen-4-one.
What is the SMILES notation for 6-benzyl-2-phenylchromen-4-one?
The canonical SMILES for 6-benzyl-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2ccc(Cc3ccccc3)cc12.
What is the InChIKey of 6-benzyl-2-phenylchromen-4-one?
The InChIKey is FIORUDRWCDGNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2/c23-20-15-22(18-9-5-2-6-10-18)24-21-12-11-17(14-19(20)21)13-16-7-3-1-4-8-16/h1-12,14-15H,13H2.
What are the key properties of 6-benzyl-2-phenylchromen-4-one?
6-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 6-benzyl-2-phenylchromen-4-one is sourced from PubChem (CID 90747479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).