1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene

C17H25Cl — CID 63435035

IUPAC1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(Cl)CC2CCCCC2)cc1
InChIInChI=1S/C17H25Cl/c1-13(2)15-8-10-16(11-9-15)17(18)12-14-6-4-3-5-7-14/h8-11,13-14,17H,3-7,12H2,1-2H3
InChIKeyZUOUJAMPHCBCNE-UHFFFAOYSA-N
MW264.84 g/mol
LogP6.06
Rot. Bonds4

About 1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene

1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene (PubChem CID 63435035) has the molecular formula C17H25Cl and a molecular weight of 264.84 g/mol. Its IUPAC name is 1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene
PubChem CID63435035
Molecular FormulaC17H25Cl
Molecular Weight264.84 g/mol
Exact Mass264.16
IUPAC Name1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(Cl)CC2CCCCC2)cc1
InChIInChI=1S/C17H25Cl/c1-13(2)15-8-10-16(11-9-15)17(18)12-14-6-4-3-5-7-14/h8-11,13-14,17H,3-7,12H2,1-2H3
InChIKeyZUOUJAMPHCBCNE-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.84
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]cycloheptane
CID 114458629
(1-chloro-2-cyclopentylethyl)benzene
CID 63428897
1-butan-2-yl-4-(1-chloro-2-cyclobutylethyl)benzene
CID 103165604
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene
CID 103165570
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
5-(1-chloro-2-cycloheptylethyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294337
5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran
CID 63019567
2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene
CID 79742311
2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-propoxybenzene
CID 104661944
1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene
CID 55198146
1-(3-chloro-3-cyclopentylpropyl)-4-propan-2-ylbenzene
CID 113390416

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene (CID 63435035) is 1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene is CC(C)c1ccc(C(Cl)CC2CCCCC2)cc1.
What is the InChIKey of 1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene?
The InChIKey is ZUOUJAMPHCBCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl/c1-13(2)15-8-10-16(11-9-15)17(18)12-14-6-4-3-5-7-14/h8-11,13-14,17H,3-7,12H2,1-2H3.
What are the key properties of 1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene?
1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene has a molecular weight of 264.84 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 63435035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).