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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-(4-chlorophenyl)but-3-en-1-ol
CID 117268088
(Z)-3-(4-chlorophenyl)prop-2-en-1-amine
CID 58952108
(E)-4-(4-chlorophenyl)but-3-ene-1-sulfonyl chloride
CID 82486545
1-chloro-4-[(E)-3-methoxyprop-1-enyl]benzene
CID 14044887
1-chloro-4-[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 131234815
1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene
CID 70468430
1-chloro-4-(4-methylpent-1-enyl)benzene
CID 156766327
6-(4-chlorophenyl)hex-5-enyl formate
CID 91353825
3-[[(E)-4-(4-chlorophenyl)but-3-enyl]amino]propanenitrile
CID 70608973
4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
CID 58649433
3-(4-chlorophenyl)prop-2-ene-1-sulfonyl chloride
CID 174258054
3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride
CID 163540078

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).