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

C12H13Cl3 — CID 63529747

IUPAC1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene
SMILESClc1ccc(CC(Cl)C2CCC2)cc1Cl
InChIInChI=1S/C12H13Cl3/c13-10-5-4-8(7-12(10)15)6-11(14)9-2-1-3-9/h4-5,7,9,11H,1-3,6H2
InChIKeyIBIRUSLVIBQNJM-UHFFFAOYSA-N
MW263.59 g/mol
LogP4.94
Rot. Bonds3

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

1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene (PubChem CID 63529747) has the molecular formula C12H13Cl3 and a molecular weight of 263.59 g/mol. Its IUPAC name is 1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene
PubChem CID63529747
Molecular FormulaC12H13Cl3
Molecular Weight263.59 g/mol
Exact Mass262.01
IUPAC Name1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene
SMILESClc1ccc(CC(Cl)C2CCC2)cc1Cl
InChIInChI=1S/C12H13Cl3/c13-10-5-4-8(7-12(10)15)6-11(14)9-2-1-3-9/h4-5,7,9,11H,1-3,6H2
InChIKeyIBIRUSLVIBQNJM-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.59
LogP ≤ 54.94
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-(3,4-dichlorophenyl)ethyl]cycloheptane
CID 63531103
2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 65030216
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 63411016
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654
1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
CID 63016501
[2-(4-bromophenyl)-1-chloroethyl]cyclooctane
CID 65020959
(1-chloro-2-phenylethyl)cycloheptane
CID 63542336
1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol
CID 116505751
1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene
CID 57027605
1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene
CID 107897043
3-[1-bromo-2-(3,4-dichlorophenyl)ethyl]oxolane
CID 63045119
1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene
CID 63559736

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene?
The IUPAC name of 1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene (CID 63529747) is 1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene is Clc1ccc(CC(Cl)C2CCC2)cc1Cl.
What is the InChIKey of 1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene?
The InChIKey is IBIRUSLVIBQNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3/c13-10-5-4-8(7-12(10)15)6-11(14)9-2-1-3-9/h4-5,7,9,11H,1-3,6H2.
What are the key properties of 1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene?
1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene has a molecular weight of 263.59 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene is sourced from PubChem (CID 63529747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).