2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene

C15H17Cl — CID 18962081

IUPAC2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene
SMILESClc1cc(C2C=C2)ccc1C1CCCCC1
InChIInChI=1S/C15H17Cl/c16-15-10-13(11-6-7-11)8-9-14(15)12-4-2-1-3-5-12/h6-12H,1-5H2
InChIKeyCRUUCJHWRHQHAZ-UHFFFAOYSA-N
MW232.75 g/mol
LogP5.04
Rot. Bonds2

About 2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene

2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene (PubChem CID 18962081) has the molecular formula C15H17Cl and a molecular weight of 232.75 g/mol. Its IUPAC name is 2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene.

Molecular Properties

Compound Name2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene
PubChem CID18962081
Molecular FormulaC15H17Cl
Molecular Weight232.75 g/mol
Exact Mass232.10
IUPAC Name2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene
SMILESClc1cc(C2C=C2)ccc1C1CCCCC1
InChIInChI=1S/C15H17Cl/c16-15-10-13(11-6-7-11)8-9-14(15)12-4-2-1-3-5-12/h6-12H,1-5H2
InChIKeyCRUUCJHWRHQHAZ-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.75
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-cyclohexylphenyl)pyrrolidine
CID 117414258
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2-chloro-1-cyclohexyl-4-prop-1-en-2-ylbenzene
CID 154158818
2-chloro-4-cyclohexylaniline
CID 18451501
1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene
CID 19787051
(2,3-dichlorophenyl)cycloheptane
CID 166869288
O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine
CID 117387845
2,5-di(cyclononyl)phenol
CID 57426125
N-benzyl-1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]ethanamine
CID 90688189
4-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methylmorpholine
CID 174383793
3-[3-chloro-4-(oxan-4-yl)phenyl]pyrrolidine
CID 117418775
1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine
CID 172822790

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene?
The IUPAC name of 2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene (CID 18962081) is 2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene.
What is the SMILES notation for 2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene?
The canonical SMILES for 2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene is Clc1cc(C2C=C2)ccc1C1CCCCC1.
What is the InChIKey of 2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene?
The InChIKey is CRUUCJHWRHQHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl/c16-15-10-13(11-6-7-11)8-9-14(15)12-4-2-1-3-5-12/h6-12H,1-5H2.
What are the key properties of 2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene?
2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene has a molecular weight of 232.75 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene is sourced from PubChem (CID 18962081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).