2-(3-chlorocyclohexen-1-yl)ethylbenzene

C14H17Cl — CID 65177340

IUPAC2-(3-chlorocyclohexen-1-yl)ethylbenzene
SMILESClC1C=C(CCc2ccccc2)CCC1
InChIInChI=1S/C14H17Cl/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-3,5-6,11,14H,4,7-10H2
InChIKeyAKESGVJQJDPHRM-UHFFFAOYSA-N
MW220.74 g/mol
LogP4.34
Rot. Bonds3

About 2-(3-chlorocyclohexen-1-yl)ethylbenzene

2-(3-chlorocyclohexen-1-yl)ethylbenzene (PubChem CID 65177340) has the molecular formula C14H17Cl and a molecular weight of 220.74 g/mol. Its IUPAC name is 2-(3-chlorocyclohexen-1-yl)ethylbenzene.

Molecular Properties

Compound Name2-(3-chlorocyclohexen-1-yl)ethylbenzene
PubChem CID65177340
Molecular FormulaC14H17Cl
Molecular Weight220.74 g/mol
Exact Mass220.10
IUPAC Name2-(3-chlorocyclohexen-1-yl)ethylbenzene
SMILESClC1C=C(CCc2ccccc2)CCC1
InChIInChI=1S/C14H17Cl/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-3,5-6,11,14H,4,7-10H2
InChIKeyAKESGVJQJDPHRM-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-chlorocyclopenten-1-yl)methylbenzene
CID 65176706
2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene
CID 130537389
2-(cyclopenten-1-yl)ethylbenzene
CID 57211956
4-[2-(3-chlorocyclohepten-1-yl)ethyl]-1-methylpyrazole
CID 107384013
hafnium;2-phenylethylbenzene
CID 173109801
3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene
CID 65176592
3-chloro-1-(2-ethylsulfanylethyl)cycloheptene
CID 107383885
3-chloro-1-octylcycloheptene
CID 107383725
benzene;2-phenylethylbenzene
CID 18982764
3-chloro-1-(4-methoxybutyl)cycloheptene
CID 107384049
2,3-bis(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinoxaline
CID 102080397
2-[(3-chlorocyclohepten-1-yl)methyl]thiophene
CID 107383817

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorocyclohexen-1-yl)ethylbenzene?
The IUPAC name of 2-(3-chlorocyclohexen-1-yl)ethylbenzene (CID 65177340) is 2-(3-chlorocyclohexen-1-yl)ethylbenzene.
What is the SMILES notation for 2-(3-chlorocyclohexen-1-yl)ethylbenzene?
The canonical SMILES for 2-(3-chlorocyclohexen-1-yl)ethylbenzene is ClC1C=C(CCc2ccccc2)CCC1.
What is the InChIKey of 2-(3-chlorocyclohexen-1-yl)ethylbenzene?
The InChIKey is AKESGVJQJDPHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-3,5-6,11,14H,4,7-10H2.
What are the key properties of 2-(3-chlorocyclohexen-1-yl)ethylbenzene?
2-(3-chlorocyclohexen-1-yl)ethylbenzene has a molecular weight of 220.74 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorocyclohexen-1-yl)ethylbenzene is sourced from PubChem (CID 65177340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).