(2-chlorocyclohexen-1-yl)benzene

C12H13Cl — CID 14737118

IUPAC(2-chlorocyclohexen-1-yl)benzene
SMILESClC1=C(c2ccccc2)CCCC1
InChIInChI=1S/C12H13Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyCXVMRCJAOJOXRK-UHFFFAOYSA-N
MW192.69 g/mol
LogP4.21
Rot. Bonds1

About (2-chlorocyclohexen-1-yl)benzene

(2-chlorocyclohexen-1-yl)benzene (PubChem CID 14737118) has the molecular formula C12H13Cl and a molecular weight of 192.69 g/mol. Its IUPAC name is (2-chlorocyclohexen-1-yl)benzene.

Molecular Properties

Compound Name(2-chlorocyclohexen-1-yl)benzene
PubChem CID14737118
Molecular FormulaC12H13Cl
Molecular Weight192.69 g/mol
Exact Mass192.07
IUPAC Name(2-chlorocyclohexen-1-yl)benzene
SMILESClC1=C(c2ccccc2)CCCC1
InChIInChI=1S/C12H13Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyCXVMRCJAOJOXRK-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
Benzyl Chloride
CID 7503
Cumene
CID 7406
Butylbenzene
CID 7705
Pentylbenzene
CID 10864
Benzotrichloride
CID 7367
Propylbenzene
CID 7668
1,4-Diethylbenzene
CID 7734
1,3-Diethylbenzene
CID 8864

Frequently Asked Questions

What is the IUPAC name of (2-chlorocyclohexen-1-yl)benzene?
The IUPAC name of (2-chlorocyclohexen-1-yl)benzene (CID 14737118) is (2-chlorocyclohexen-1-yl)benzene.
What is the SMILES notation for (2-chlorocyclohexen-1-yl)benzene?
The canonical SMILES for (2-chlorocyclohexen-1-yl)benzene is ClC1=C(c2ccccc2)CCCC1.
What is the InChIKey of (2-chlorocyclohexen-1-yl)benzene?
The InChIKey is CXVMRCJAOJOXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of (2-chlorocyclohexen-1-yl)benzene?
(2-chlorocyclohexen-1-yl)benzene has a molecular weight of 192.69 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorocyclohexen-1-yl)benzene is sourced from PubChem (CID 14737118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).