(E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one

C17H15ClO — CID 11346279

IUPAC(E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one
SMILESO=C(CC/C=C/c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClO/c18-16-12-10-15(11-13-16)17(19)9-5-4-8-14-6-2-1-3-7-14/h1-4,6-8,10-13H,5,9H2/b8-4+
InChIKeyWHZNLOAWRZLLDC-XBXARRHUSA-N
MW270.76 g/mol
LogP5.02
Rot. Bonds5

About (E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one

(E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one (PubChem CID 11346279) has the molecular formula C17H15ClO and a molecular weight of 270.76 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one
PubChem CID11346279
Molecular FormulaC17H15ClO
Molecular Weight270.76 g/mol
Exact Mass270.08
IUPAC Name(E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one
SMILESO=C(CC/C=C/c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClO/c18-16-12-10-15(11-13-16)17(19)9-5-4-8-14-6-2-1-3-7-14/h1-4,6-8,10-13H,5,9H2/b8-4+
InChIKeyWHZNLOAWRZLLDC-XBXARRHUSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.76
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-(3-chlorophenyl)pent-4-enoic acid
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1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene
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1-(4-chlorophenyl)-2-[2-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]ethanone bromide
CID 177256626
4-oxo-4-[4-(4-sulfanylbut-1-enyl)phenyl]butanoic acid
CID 170479249
(2E,6Z)-7-phenylhepta-2,6-dienoyl chloride
CID 88613948
(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one
CID 46928519
(E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one
CID 89392767
2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene
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CID 582607

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one?
The IUPAC name of (E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one (CID 11346279) is (E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one?
The canonical SMILES for (E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one is O=C(CC/C=C/c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one?
The InChIKey is WHZNLOAWRZLLDC-XBXARRHUSA-N. The full InChI is InChI=1S/C17H15ClO/c18-16-12-10-15(11-13-16)17(19)9-5-4-8-14-6-2-1-3-7-14/h1-4,6-8,10-13H,5,9H2/b8-4+.
What are the key properties of (E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one?
(E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one has a molecular weight of 270.76 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one is sourced from PubChem (CID 11346279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).