(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one

C18H16O2 — CID 46928519

IUPAC(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one
SMILESCC(=O)c1ccc(C(=O)C/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H16O2/c1-14(19)16-10-12-17(13-11-16)18(20)9-5-8-15-6-3-2-4-7-15/h2-8,10-13H,9H2,1H3/b8-5+
InChIKeyJYEQZLJNCFSTOC-VMPITWQZSA-N
MW264.32 g/mol
LogP4.18
Rot. Bonds5

About (E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one

(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one (PubChem CID 46928519) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one
PubChem CID46928519
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one
SMILESCC(=O)c1ccc(C(=O)C/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H16O2/c1-14(19)16-10-12-17(13-11-16)18(20)9-5-8-15-6-3-2-4-7-15/h2-8,10-13H,9H2,1H3/b8-5+
InChIKeyJYEQZLJNCFSTOC-VMPITWQZSA-N
XLogP4.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone
CID 10633570
zinc bis(4-phenylbut-3-enoate)
CID 66673127
1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone
CID 135007292
1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone
CID 11230907
1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone
CID 11323090
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone
CID 160723303
(E)-1-phenylhex-3-ene-1,5-dione
CID 15568424
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone
CID 69412326
[(1E,4Z)-4,5-diphenylhexa-1,4-dienyl]benzene
CID 12007048
4-(3-acetylphenyl)but-3-enamide
CID 170797804
acetic acid;stilbene
CID 172803728

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one?
The IUPAC name of (E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one (CID 46928519) is (E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one.
What is the SMILES notation for (E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one?
The canonical SMILES for (E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one is CC(=O)c1ccc(C(=O)C/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one?
The InChIKey is JYEQZLJNCFSTOC-VMPITWQZSA-N. The full InChI is InChI=1S/C18H16O2/c1-14(19)16-10-12-17(13-11-16)18(20)9-5-8-15-6-3-2-4-7-15/h2-8,10-13H,9H2,1H3/b8-5+.
What are the key properties of (E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one?
(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one has a molecular weight of 264.32 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one is sourced from PubChem (CID 46928519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).