1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene

C16H14Cl2 — CID 71334740

IUPAC1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
SMILESCC(C=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2/c1-12(14-6-10-16(18)11-7-14)2-3-13-4-8-15(17)9-5-13/h2-12H,1H3
InChIKeyZFEYUKOFZMWPGO-UHFFFAOYSA-N
MW277.19 g/mol
LogP5.81
Rot. Bonds3

About 1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene

1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene (PubChem CID 71334740) has the molecular formula C16H14Cl2 and a molecular weight of 277.19 g/mol. Its IUPAC name is 1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
PubChem CID71334740
Molecular FormulaC16H14Cl2
Molecular Weight277.19 g/mol
Exact Mass276.05
IUPAC Name1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
SMILESCC(C=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2/c1-12(14-6-10-16(18)11-7-14)2-3-13-4-8-15(17)9-5-13/h2-12H,1H3
InChIKeyZFEYUKOFZMWPGO-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.19
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-[(E)-3-(4-chlorophenyl)but-1-enyl]benzene
CID 11425891
1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene
CID 11288169
1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene
CID 122203276
4-(4-chlorophenyl)but-3-en-2-amine
CID 67270933
1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene
CID 72540254
(E)-4-(4-chlorophenyl)but-3-en-2-ol
CID 11019514
1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene
CID 102073243
1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene
CID 139679614
1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene
CID 138964218
(E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine
CID 10954799
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248
1-bromo-4-(3-phenylbut-1-enyl)benzene
CID 162347455

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene (CID 71334740) is 1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene is CC(C=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene?
The InChIKey is ZFEYUKOFZMWPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2/c1-12(14-6-10-16(18)11-7-14)2-3-13-4-8-15(17)9-5-13/h2-12H,1H3.
What are the key properties of 1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene?
1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene has a molecular weight of 277.19 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene is sourced from PubChem (CID 71334740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).