1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene

C11H12Cl2 — CID 61083136

IUPAC1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene
SMILESCC1CC1C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C11H12Cl2/c1-7-6-10(7)11(13)8-2-4-9(12)5-3-8/h2-5,7,10-11H,6H2,1H3
InChIKeyLOHSUEGLTMGKTL-UHFFFAOYSA-N
MW215.12 g/mol
LogP4.28
Rot. Bonds2

About 1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene

1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene (PubChem CID 61083136) has the molecular formula C11H12Cl2 and a molecular weight of 215.12 g/mol. Its IUPAC name is 1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene
PubChem CID61083136
Molecular FormulaC11H12Cl2
Molecular Weight215.12 g/mol
Exact Mass214.03
IUPAC Name1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene
SMILESCC1CC1C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C11H12Cl2/c1-7-6-10(7)11(13)8-2-4-9(12)5-3-8/h2-5,7,10-11H,6H2,1H3
InChIKeyLOHSUEGLTMGKTL-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 54.28
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

(S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine
CID 93262194
(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methanamine
CID 99724266
1-[chloro-(2-methylcyclopropyl)methyl]-4-propylbenzene
CID 63432112
1-[2-bromo-2-(2-methylcyclopropyl)ethyl]-4-chlorobenzene
CID 63542272
5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294248
4-[bromo-(2-methylcyclopropyl)methyl]-1-fluoro-2-methylbenzene
CID 79746904
[2-(4-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]hydrazine
CID 105235074
(3S)-3-[[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]amino]pyrrolidin-2-one
CID 129421246
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562140
1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene
CID 107182438
3-bromo-2-[chloro-(2-methylcyclopropyl)methyl]thiophene
CID 80535825
1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 84599060

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene?
The IUPAC name of 1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene (CID 61083136) is 1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene.
What is the SMILES notation for 1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene?
The canonical SMILES for 1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene is CC1CC1C(Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene?
The InChIKey is LOHSUEGLTMGKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2/c1-7-6-10(7)11(13)8-2-4-9(12)5-3-8/h2-5,7,10-11H,6H2,1H3.
What are the key properties of 1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene?
1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene has a molecular weight of 215.12 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene is sourced from PubChem (CID 61083136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).