3-benzoyl-4-phenylchromen-2-one

C22H14O3 — CID 629843

IUPAC3-benzoyl-4-phenylchromen-2-one
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)c2ccccc2oc1=O
InChIInChI=1S/C22H14O3/c23-21(16-11-5-2-6-12-16)20-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)25-22(20)24/h1-14H
InChIKeyFMCKKHCHCKODSJ-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.69
Rot. Bonds3

About 3-benzoyl-4-phenylchromen-2-one

3-benzoyl-4-phenylchromen-2-one (PubChem CID 629843) has the molecular formula C22H14O3 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-benzoyl-4-phenylchromen-2-one.

Molecular Properties

Compound Name3-benzoyl-4-phenylchromen-2-one
PubChem CID629843
Molecular FormulaC22H14O3
Molecular Weight326.35 g/mol
Exact Mass326.09
IUPAC Name3-benzoyl-4-phenylchromen-2-one
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)c2ccccc2oc1=O
InChIInChI=1S/C22H14O3/c23-21(16-11-5-2-6-12-16)20-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)25-22(20)24/h1-14H
InChIKeyFMCKKHCHCKODSJ-UHFFFAOYSA-N
XLogP4.69
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-4-phenylchromen-2-one?
The IUPAC name of 3-benzoyl-4-phenylchromen-2-one (CID 629843) is 3-benzoyl-4-phenylchromen-2-one.
What is the SMILES notation for 3-benzoyl-4-phenylchromen-2-one?
The canonical SMILES for 3-benzoyl-4-phenylchromen-2-one is O=C(c1ccccc1)c1c(-c2ccccc2)c2ccccc2oc1=O.
What is the InChIKey of 3-benzoyl-4-phenylchromen-2-one?
The InChIKey is FMCKKHCHCKODSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O3/c23-21(16-11-5-2-6-12-16)20-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)25-22(20)24/h1-14H.
What are the key properties of 3-benzoyl-4-phenylchromen-2-one?
3-benzoyl-4-phenylchromen-2-one has a molecular weight of 326.35 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-4-phenylchromen-2-one is sourced from PubChem (CID 629843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).