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

C22H18O — CID 11380988

IUPAC1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O/c1-17(23)20-14-8-9-15-21(20)22(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2-16H,1H3/b22-16+
InChIKeyXOIHRTOVAZTPBD-CJLVFECKSA-N
MW298.39 g/mol
LogP5.48
Rot. Bonds4

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

1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone (PubChem CID 11380988) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone
PubChem CID11380988
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O/c1-17(23)20-14-8-9-15-21(20)22(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2-16H,1H3/b22-16+
InChIKeyXOIHRTOVAZTPBD-CJLVFECKSA-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

1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone
CID 121493701
2-(1,2-diphenylethenyl)benzaldehyde
CID 87999369
1-chloro-2-[(E)-1,2-diphenylethenyl]benzene
CID 175564265
CID 173126547
CID 173126547
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
[4-(2,2-diphenylethenyl)phenyl]-(2-hydroxyphenyl)methanone
CID 67415935
[2-[(E)-1,2-diphenylethenyl]phenyl]-diphenylphosphane
CID 132966210
1-[(Z)-1,2-diphenylethenyl]naphthalene
CID 11347319
2-[2-[(E)-1,2-diphenylethenyl]phenyl]propan-2-amine
CID 102527150
1-(2-acetylphenyl)ethanone;methane
CID 158210616
1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone
CID 91417911
CID 172843956
CID 172843956

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone?
The IUPAC name of 1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone (CID 11380988) is 1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone is CC(=O)c1ccccc1/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone?
The InChIKey is XOIHRTOVAZTPBD-CJLVFECKSA-N. The full InChI is InChI=1S/C22H18O/c1-17(23)20-14-8-9-15-21(20)22(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2-16H,1H3/b22-16+.
What are the key properties of 1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone?
1-[2-[(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-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone is sourced from PubChem (CID 11380988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).