1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene

C18H16Cl2 — CID 141391243

IUPAC1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene
SMILESClc1ccc(C=CCCC=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16Cl2/c19-17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(20)14-10-16/h3-14H,1-2H2
InChIKeyUQSXRKMNXOAUKK-UHFFFAOYSA-N
MW303.23 g/mol
LogP6.50
Rot. Bonds5

About 1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene

1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene (PubChem CID 141391243) has the molecular formula C18H16Cl2 and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene
PubChem CID141391243
Molecular FormulaC18H16Cl2
Molecular Weight303.23 g/mol
Exact Mass302.06
IUPAC Name1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene
SMILESClc1ccc(C=CCCC=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16Cl2/c19-17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(20)14-10-16/h3-14H,1-2H2
InChIKeyUQSXRKMNXOAUKK-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.23
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene?
The IUPAC name of 1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene (CID 141391243) is 1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene.
What is the SMILES notation for 1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene?
The canonical SMILES for 1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene is Clc1ccc(C=CCCC=Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene?
The InChIKey is UQSXRKMNXOAUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2/c19-17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(20)14-10-16/h3-14H,1-2H2.
What are the key properties of 1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene?
1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene has a molecular weight of 303.23 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene is sourced from PubChem (CID 141391243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).