1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene

C14H17Cl3 — CID 55198146

IUPAC1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene
SMILESClc1ccc(Cl)c(C(Cl)CC2CCCCC2)c1
InChIInChI=1S/C14H17Cl3/c15-11-6-7-13(16)12(9-11)14(17)8-10-4-2-1-3-5-10/h6-7,9-10,14H,1-5,8H2
InChIKeyRKKUSZMGORDCCZ-UHFFFAOYSA-N
MW291.65 g/mol
LogP6.24
Rot. Bonds3

About 1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene

1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene (PubChem CID 55198146) has the molecular formula C14H17Cl3 and a molecular weight of 291.65 g/mol. Its IUPAC name is 1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene
PubChem CID55198146
Molecular FormulaC14H17Cl3
Molecular Weight291.65 g/mol
Exact Mass290.04
IUPAC Name1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene
SMILESClc1ccc(Cl)c(C(Cl)CC2CCCCC2)c1
InChIInChI=1S/C14H17Cl3/c15-11-6-7-13(16)12(9-11)14(17)8-10-4-2-1-3-5-10/h6-7,9-10,14H,1-5,8H2
InChIKeyRKKUSZMGORDCCZ-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.65
LogP ≤ 56.24
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-chloro-2-(1-chloro-2-cyclopentylethyl)-4,5-difluorobenzene
CID 107477309
[2-cyclopentyl-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105299043
2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene
CID 63444578
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol
CID 66156275
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine
CID 114027016
2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60900468
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol
CID 63083124
[1-(5-chloro-2-fluorophenyl)-2-cyclopentylethyl]hydrazine
CID 105280031
1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene
CID 63435035
(1R)-1-cycloheptyl-N-[1-(2,5-dichlorophenyl)ethyl]ethanamine
CID 81392727

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene?
The IUPAC name of 1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene (CID 55198146) is 1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene?
The canonical SMILES for 1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene is Clc1ccc(Cl)c(C(Cl)CC2CCCCC2)c1.
What is the InChIKey of 1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene?
The InChIKey is RKKUSZMGORDCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3/c15-11-6-7-13(16)12(9-11)14(17)8-10-4-2-1-3-5-10/h6-7,9-10,14H,1-5,8H2.
What are the key properties of 1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene?
1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene has a molecular weight of 291.65 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(1-chloro-2-cyclohexylethyl)benzene is sourced from PubChem (CID 55198146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).