2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one

C23H16O2 — CID 15461730

IUPAC2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one
SMILESO=c1c(/C=C/c2ccccc2)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C23H16O2/c24-22-19-13-7-8-14-21(19)25-23(18-11-5-2-6-12-18)20(22)16-15-17-9-3-1-4-10-17/h1-16H/b16-15+
InChIKeyKUPYDMPDXLNQFB-FOCLMDBBSA-N
MW324.38 g/mol
LogP5.63
Rot. Bonds3

About 2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one

2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one (PubChem CID 15461730) has the molecular formula C23H16O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one.

Molecular Properties

Compound Name2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one
PubChem CID15461730
Molecular FormulaC23H16O2
Molecular Weight324.38 g/mol
Exact Mass324.12
IUPAC Name2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one
SMILESO=c1c(/C=C/c2ccccc2)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C23H16O2/c24-22-19-13-7-8-14-21(19)25-23(18-11-5-2-6-12-18)20(22)16-15-17-9-3-1-4-10-17/h1-16H/b16-15+
InChIKeyKUPYDMPDXLNQFB-FOCLMDBBSA-N
XLogP5.63
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one
CID 10905103
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
CID 735040
3-hydroxy-2-phenylchromen-4-one;sulfuric acid
CID 118009267
3-methyl-2-(2-phenylethenyl)chromen-4-one
CID 85448922
methanesulfonic acid;3-methyl-2-phenylchromen-4-one
CID 172814371
3-but-3-en-2-yl-2-phenylchromen-4-one
CID 102136808
carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate
CID 46933843
copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate)
CID 139162743
3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one
CID 87249691
3-azido-2-phenylchromen-4-one
CID 90825392
2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 735034

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one?
The IUPAC name of 2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one (CID 15461730) is 2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one.
What is the SMILES notation for 2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one?
The canonical SMILES for 2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one is O=c1c(/C=C/c2ccccc2)c(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one?
The InChIKey is KUPYDMPDXLNQFB-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H16O2/c24-22-19-13-7-8-14-21(19)25-23(18-11-5-2-6-12-18)20(22)16-15-17-9-3-1-4-10-17/h1-16H/b16-15+.
What are the key properties of 2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one?
2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one has a molecular weight of 324.38 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one is sourced from PubChem (CID 15461730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).