1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone

C22H18O — CID 121493701

IUPAC1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone
SMILESCC(=O)c1cccc(/C(=C/c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H18O/c1-17(23)20-13-8-14-21(16-20)22(19-11-6-3-7-12-19)15-18-9-4-2-5-10-18/h2-16H,1H3/b22-15+
InChIKeyYFYIACVCQVPDAF-PXLXIMEGSA-N
MW298.39 g/mol
LogP5.48
Rot. Bonds4

About 1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone

1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone (PubChem CID 121493701) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone
PubChem CID121493701
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone
SMILESCC(=O)c1cccc(/C(=C/c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H18O/c1-17(23)20-13-8-14-21(16-20)22(19-11-6-3-7-12-19)15-18-9-4-2-5-10-18/h2-16H,1H3/b22-15+
InChIKeyYFYIACVCQVPDAF-PXLXIMEGSA-N
XLogP5.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-1,2-diphenylethenyl]-N,N-dimethylbenzamide
CID 121493703
1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone
CID 11380988
CID 173126547
CID 173126547
1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene
CID 121493700
1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone
CID 91417911
CID 172843956
CID 172843956
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566
1,2-diphenylethenylbenzene;2-methylphenol
CID 159908422
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
1-[3-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]phenyl]ethanone
CID 21177369
ethane;1-phenylethanone;propan-2-one
CID 91456675
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone?
The IUPAC name of 1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone (CID 121493701) is 1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone is CC(=O)c1cccc(/C(=C/c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone?
The InChIKey is YFYIACVCQVPDAF-PXLXIMEGSA-N. The full InChI is InChI=1S/C22H18O/c1-17(23)20-13-8-14-21(16-20)22(19-11-6-3-7-12-19)15-18-9-4-2-5-10-18/h2-16H,1H3/b22-15+.
What are the key properties of 1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone?
1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone is sourced from PubChem (CID 121493701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).