1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone

C17H16O — CID 10633570

IUPAC1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C/Cc2ccccc2)cc1
InChIInChI=1S/C17H16O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-7,9-13H,8H2,1H3/b9-5+
InChIKeyPOXUUYQHZHJRSJ-WEVVVXLNSA-N
MW236.31 g/mol
LogP4.15
Rot. Bonds4

About 1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone

1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone (PubChem CID 10633570) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone
PubChem CID10633570
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C/Cc2ccccc2)cc1
InChIInChI=1S/C17H16O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-7,9-13H,8H2,1H3/b9-5+
InChIKeyPOXUUYQHZHJRSJ-WEVVVXLNSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone
CID 11230907
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone
CID 135007292
(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one
CID 46928519
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
CID 71390379
1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone
CID 11323090
1-[4-[(Z)-3-phenylmethoxyprop-2-enyl]phenyl]ethanone
CID 11346154
benzyl (E)-3-(4-acetylphenyl)prop-2-enoate
CID 132608073
1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene
CID 144681083
N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
CID 10728588
1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone
CID 69412326

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone (CID 10633570) is 1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone is CC(=O)c1ccc(/C=C/Cc2ccccc2)cc1.
What is the InChIKey of 1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone?
The InChIKey is POXUUYQHZHJRSJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C17H16O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-7,9-13H,8H2,1H3/b9-5+.
What are the key properties of 1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone?
1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone has a molecular weight of 236.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone is sourced from PubChem (CID 10633570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).