1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene

C10H8Cl2 — CID 73211746

IUPAC1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene
SMILESClC=CC=Cc1ccc(Cl)cc1
InChIInChI=1S/C10H8Cl2/c11-8-2-1-3-9-4-6-10(12)7-5-9/h1-8H
InChIKeyZOJIAXCUGSZKHU-UHFFFAOYSA-N
MW199.08 g/mol
LogP4.11
Rot. Bonds2

About 1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene

1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene (PubChem CID 73211746) has the molecular formula C10H8Cl2 and a molecular weight of 199.08 g/mol. Its IUPAC name is 1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene
PubChem CID73211746
Molecular FormulaC10H8Cl2
Molecular Weight199.08 g/mol
Exact Mass198.00
IUPAC Name1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene
SMILESClC=CC=Cc1ccc(Cl)cc1
InChIInChI=1S/C10H8Cl2/c11-8-2-1-3-9-4-6-10(12)7-5-9/h1-8H
InChIKeyZOJIAXCUGSZKHU-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.08
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene
CID 72540254
1-[(1E,3E)-4-chlorobuta-1,3-dienyl]-4-methoxybenzene
CID 101396307
1-[(E)-2-bromoethenyl]-4-chlorobenzene
CID 5372382
4-[(1E,3E)-4-(4-sulfanylphenyl)buta-1,3-dienyl]benzenethiol
CID 89070486
4-[(E)-2-(4-chlorophenyl)ethenyl]phenol
CID 5376643
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene
CID 141391243
methyl 4-[(1Z,3Z)-4-chlorobuta-1,3-dienyl]benzoate
CID 177400447
1-chloro-4-ethenylbenzene;2-chloroethenylbenzene
CID 158705865
4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline
CID 171783566
3-(4-chlorophenyl)prop-2-enoic acid;5-phenylpenta-2,4-dienoic acid
CID 173256953
4-(4-chlorophenyl)but-3-en-2-amine
CID 67270933

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene?
The IUPAC name of 1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene (CID 73211746) is 1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene.
What is the SMILES notation for 1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene?
The canonical SMILES for 1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene is ClC=CC=Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene?
The InChIKey is ZOJIAXCUGSZKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2/c11-8-2-1-3-9-4-6-10(12)7-5-9/h1-8H.
What are the key properties of 1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene?
1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene has a molecular weight of 199.08 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chlorobuta-1,3-dienyl)benzene is sourced from PubChem (CID 73211746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).