1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene

C12H12Cl2 — CID 174623974

IUPAC1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene
SMILESClC1=CCCCC1c1cccc(Cl)c1
InChIInChI=1S/C12H12Cl2/c13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)14/h3-5,7-8,11H,1-2,6H2
InChIKeyKWUBSMJAOJCWLS-UHFFFAOYSA-N
MW227.13 g/mol
LogP4.73
Rot. Bonds1

About 1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene

1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene (PubChem CID 174623974) has the molecular formula C12H12Cl2 and a molecular weight of 227.13 g/mol. Its IUPAC name is 1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene.

Molecular Properties

Compound Name1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene
PubChem CID174623974
Molecular FormulaC12H12Cl2
Molecular Weight227.13 g/mol
Exact Mass226.03
IUPAC Name1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene
SMILESClC1=CCCCC1c1cccc(Cl)c1
InChIInChI=1S/C12H12Cl2/c13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)14/h3-5,7-8,11H,1-2,6H2
InChIKeyKWUBSMJAOJCWLS-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene?
The IUPAC name of 1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene (CID 174623974) is 1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene.
What is the SMILES notation for 1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene?
The canonical SMILES for 1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene is ClC1=CCCCC1c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene?
The InChIKey is KWUBSMJAOJCWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2/c13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)14/h3-5,7-8,11H,1-2,6H2.
What are the key properties of 1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene?
1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene has a molecular weight of 227.13 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene is sourced from PubChem (CID 174623974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).