1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene

C18H26Cl2 — CID 63542999

IUPAC1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene
SMILESCC(C)(C)C1CCC(C(Cl)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26Cl2/c1-18(2,3)15-8-6-14(7-9-15)17(20)12-13-4-10-16(19)11-5-13/h4-5,10-11,14-15,17H,6-9,12H2,1-3H3
InChIKeyUIZVJCOGIWSXES-UHFFFAOYSA-N
MW313.31 g/mol
LogP6.34
Rot. Bonds3

About 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene

1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene (PubChem CID 63542999) has the molecular formula C18H26Cl2 and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene
PubChem CID63542999
Molecular FormulaC18H26Cl2
Molecular Weight313.31 g/mol
Exact Mass312.14
IUPAC Name1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene
SMILESCC(C)(C)C1CCC(C(Cl)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26Cl2/c1-18(2,3)15-8-6-14(7-9-15)17(20)12-13-4-10-16(19)11-5-13/h4-5,10-11,14-15,17H,6-9,12H2,1-3H3
InChIKeyUIZVJCOGIWSXES-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.31
LogP ≤ 56.34
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

1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene
CID 63520591
2-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-1-chloro-3-fluorobenzene
CID 63518313
2-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-5-methylpyridine
CID 66461420
3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol
CID 104819568
1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
CID 63016501
1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine
CID 114996120
1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine
CID 63528924
1-(2-bromo-3-cyclopropylbutyl)-4-chlorobenzene
CID 83151006
1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane
CID 57084421
1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 63528053
3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine
CID 82077917
[2-(4-chlorophenyl)-1-(4-propylcyclohexyl)ethyl]hydrazine
CID 105232365

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene?
The IUPAC name of 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene (CID 63542999) is 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene.
What is the SMILES notation for 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene?
The canonical SMILES for 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene is CC(C)(C)C1CCC(C(Cl)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene?
The InChIKey is UIZVJCOGIWSXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2/c1-18(2,3)15-8-6-14(7-9-15)17(20)12-13-4-10-16(19)11-5-13/h4-5,10-11,14-15,17H,6-9,12H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene?
1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene has a molecular weight of 313.31 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene is sourced from PubChem (CID 63542999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).