1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene

C18H14Cl2 — CID 59205815

IUPAC1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene
SMILESClc1ccccc1/C=C/C=C/C=C/c1ccccc1Cl
InChIInChI=1S/C18H14Cl2/c19-17-13-7-5-11-15(17)9-3-1-2-4-10-16-12-6-8-14-18(16)20/h1-14H/b2-1+,9-3+,10-4+
InChIKeyTXWZEWGUSIDUJS-FOSXGVIDSA-N
MW301.22 g/mol
LogP6.28
Rot. Bonds4

About 1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene

1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene (PubChem CID 59205815) has the molecular formula C18H14Cl2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene
PubChem CID59205815
Molecular FormulaC18H14Cl2
Molecular Weight301.22 g/mol
Exact Mass300.05
IUPAC Name1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene
SMILESClc1ccccc1/C=C/C=C/C=C/c1ccccc1Cl
InChIInChI=1S/C18H14Cl2/c19-17-13-7-5-11-15(17)9-3-1-2-4-10-16-12-6-8-14-18(16)20/h1-14H/b2-1+,9-3+,10-4+
InChIKeyTXWZEWGUSIDUJS-FOSXGVIDSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.22
LogP ≤ 56.28
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

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CID 84820223
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1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
CID 144702462
2-[2-[(1E,3E)-4-(2-chlorophenyl)buta-1,3-dienyl]phenyl]prop-2-enoate
CID 18705698
(Z)-3-(2-chlorophenyl)prop-2-enenitrile
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1-chloro-2-(2-phosphorosoethenyl)benzene
CID 175046650
1-chloro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 12700740
ethyl 5-(2-chlorophenyl)penta-2,4-dienoate
CID 91012118
CID 102035541
CID 102035541
(E)-3-(2-chlorophenyl)prop-2-enenitrile;hydron
CID 174388548
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
5-[(E)-3-(2-chlorophenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 71509781

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene?
The IUPAC name of 1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene (CID 59205815) is 1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene.
What is the SMILES notation for 1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene?
The canonical SMILES for 1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene is Clc1ccccc1/C=C/C=C/C=C/c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene?
The InChIKey is TXWZEWGUSIDUJS-FOSXGVIDSA-N. The full InChI is InChI=1S/C18H14Cl2/c19-17-13-7-5-11-15(17)9-3-1-2-4-10-16-12-6-8-14-18(16)20/h1-14H/b2-1+,9-3+,10-4+.
What are the key properties of 1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene?
1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene has a molecular weight of 301.22 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(1E,3E,5E)-6-(2-chlorophenyl)hexa-1,3,5-trienyl]benzene is sourced from PubChem (CID 59205815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).