3-phenyl-4-phenylmethoxychromen-2-one

C22H16O3 — CID 70697167

IUPAC3-phenyl-4-phenylmethoxychromen-2-one
SMILESO=c1oc2ccccc2c(OCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H16O3/c23-22-20(17-11-5-2-6-12-17)21(18-13-7-8-14-19(18)25-22)24-15-16-9-3-1-4-10-16/h1-14H,15H2
InChIKeyNIXBUQWTLKSDLG-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.04
Rot. Bonds4

About 3-phenyl-4-phenylmethoxychromen-2-one

3-phenyl-4-phenylmethoxychromen-2-one (PubChem CID 70697167) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-phenyl-4-phenylmethoxychromen-2-one.

Molecular Properties

Compound Name3-phenyl-4-phenylmethoxychromen-2-one
PubChem CID70697167
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name3-phenyl-4-phenylmethoxychromen-2-one
SMILESO=c1oc2ccccc2c(OCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H16O3/c23-22-20(17-11-5-2-6-12-17)21(18-13-7-8-14-19(18)25-22)24-15-16-9-3-1-4-10-16/h1-14H,15H2
InChIKeyNIXBUQWTLKSDLG-UHFFFAOYSA-N
XLogP5.04
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.04
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-phenyl-4-phenylmethoxychromen-2-one?
The IUPAC name of 3-phenyl-4-phenylmethoxychromen-2-one (CID 70697167) is 3-phenyl-4-phenylmethoxychromen-2-one.
What is the SMILES notation for 3-phenyl-4-phenylmethoxychromen-2-one?
The canonical SMILES for 3-phenyl-4-phenylmethoxychromen-2-one is O=c1oc2ccccc2c(OCc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-phenyl-4-phenylmethoxychromen-2-one?
The InChIKey is NIXBUQWTLKSDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c23-22-20(17-11-5-2-6-12-17)21(18-13-7-8-14-19(18)25-22)24-15-16-9-3-1-4-10-16/h1-14H,15H2.
What are the key properties of 3-phenyl-4-phenylmethoxychromen-2-one?
3-phenyl-4-phenylmethoxychromen-2-one has a molecular weight of 328.37 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-phenylmethoxychromen-2-one is sourced from PubChem (CID 70697167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).