1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene

C11H12Cl2 — CID 63016501

IUPAC1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
SMILESClc1cccc(CC(Cl)C2CC2)c1
InChIInChI=1S/C11H12Cl2/c12-10-3-1-2-8(6-10)7-11(13)9-4-5-9/h1-3,6,9,11H,4-5,7H2
InChIKeyBEEAVHDIMJTVEH-UHFFFAOYSA-N
MW215.12 g/mol
LogP3.90
Rot. Bonds3

About 1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene

1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene (PubChem CID 63016501) has the molecular formula C11H12Cl2 and a molecular weight of 215.12 g/mol. Its IUPAC name is 1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
PubChem CID63016501
Molecular FormulaC11H12Cl2
Molecular Weight215.12 g/mol
Exact Mass214.03
IUPAC Name1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
SMILESClc1cccc(CC(Cl)C2CC2)c1
InChIInChI=1S/C11H12Cl2/c12-10-3-1-2-8(6-10)7-11(13)9-4-5-9/h1-3,6,9,11H,4-5,7H2
InChIKeyBEEAVHDIMJTVEH-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 53.90
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-chloro-2-cyclopropylethyl)-3-fluorobenzene
CID 63015907
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
1-chloro-3-(2-methylpropyl)benzene;propan-2-ylcyclobutane
CID 163536568
2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65389818
2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol
CID 66059074
2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol
CID 105076793
1-(3-chlorophenyl)-3-(thian-4-yl)propan-2-ol
CID 105076726
1-(2-bromo-3-cyclopentylpropyl)-3-chlorobenzene
CID 63530757
4-[2-(3-bromophenyl)-1-chloroethyl]oxane
CID 63016306
2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
CID 63528651
4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine
CID 112563625

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene?
The IUPAC name of 1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene (CID 63016501) is 1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene.
What is the SMILES notation for 1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene?
The canonical SMILES for 1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene is Clc1cccc(CC(Cl)C2CC2)c1.
What is the InChIKey of 1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene?
The InChIKey is BEEAVHDIMJTVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2/c12-10-3-1-2-8(6-10)7-11(13)9-4-5-9/h1-3,6,9,11H,4-5,7H2.
What are the key properties of 1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene?
1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene has a molecular weight of 215.12 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene is sourced from PubChem (CID 63016501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).