[(E)-1-chloro-4-phenylbut-3-enyl]benzene

C16H15Cl — CID 13252853

IUPAC[(E)-1-chloro-4-phenylbut-3-enyl]benzene
SMILESClC(C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15Cl/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-12,16H,13H2/b10-7+
InChIKeyVFLHZEXJNXTCQO-JXMROGBWSA-N
MW242.75 g/mol
LogP5.07
Rot. Bonds4

About [(E)-1-chloro-4-phenylbut-3-enyl]benzene

[(E)-1-chloro-4-phenylbut-3-enyl]benzene (PubChem CID 13252853) has the molecular formula C16H15Cl and a molecular weight of 242.75 g/mol. Its IUPAC name is [(E)-1-chloro-4-phenylbut-3-enyl]benzene.

Molecular Properties

Compound Name[(E)-1-chloro-4-phenylbut-3-enyl]benzene
PubChem CID13252853
Molecular FormulaC16H15Cl
Molecular Weight242.75 g/mol
Exact Mass242.09
IUPAC Name[(E)-1-chloro-4-phenylbut-3-enyl]benzene
SMILESClC(C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15Cl/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-12,16H,13H2/b10-7+
InChIKeyVFLHZEXJNXTCQO-JXMROGBWSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.75
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-chloropent-1-enylbenzene
CID 66808272
[(E,2R)-5-phenylpent-4-en-2-yl]benzene
CID 102293607
(E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol
CID 10729956
chloro-diphenyl-(3-phenylprop-2-enyl)phosphanium
CID 173397693
N-methyl-1,4-diphenylbut-3-en-1-amine
CID 54080999
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
(E)-5-phenylpent-4-en-2-amine
CID 55254237
trihydroxy(3-phenylprop-2-enyl)phosphanium
CID 70142410
2-[(Z)-3-phenylprop-2-enyl]propanedinitrile
CID 121008435
[(E)-3-chloroprop-1-enyl]benzene;hydron
CID 174539817
[(E)-3-benzhydryloxyprop-1-enyl]benzene
CID 11197353
dichloromethyl(4-phenylbut-3-enyl)silane
CID 131722819

Frequently Asked Questions

What is the IUPAC name of [(E)-1-chloro-4-phenylbut-3-enyl]benzene?
The IUPAC name of [(E)-1-chloro-4-phenylbut-3-enyl]benzene (CID 13252853) is [(E)-1-chloro-4-phenylbut-3-enyl]benzene.
What is the SMILES notation for [(E)-1-chloro-4-phenylbut-3-enyl]benzene?
The canonical SMILES for [(E)-1-chloro-4-phenylbut-3-enyl]benzene is ClC(C/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1-chloro-4-phenylbut-3-enyl]benzene?
The InChIKey is VFLHZEXJNXTCQO-JXMROGBWSA-N. The full InChI is InChI=1S/C16H15Cl/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-12,16H,13H2/b10-7+.
What are the key properties of [(E)-1-chloro-4-phenylbut-3-enyl]benzene?
[(E)-1-chloro-4-phenylbut-3-enyl]benzene has a molecular weight of 242.75 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-chloro-4-phenylbut-3-enyl]benzene is sourced from PubChem (CID 13252853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).