1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene

C12H15Cl — CID 63015916

IUPAC1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene
SMILESCc1ccccc1CC(Cl)C1CC1
InChIInChI=1S/C12H15Cl/c1-9-4-2-3-5-11(9)8-12(13)10-6-7-10/h2-5,10,12H,6-8H2,1H3
InChIKeyZYKKBSQIZWZHCA-UHFFFAOYSA-N
MW194.71 g/mol
LogP3.55
Rot. Bonds3

About 1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene

1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene (PubChem CID 63015916) has the molecular formula C12H15Cl and a molecular weight of 194.71 g/mol. Its IUPAC name is 1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene
PubChem CID63015916
Molecular FormulaC12H15Cl
Molecular Weight194.71 g/mol
Exact Mass194.09
IUPAC Name1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene
SMILESCc1ccccc1CC(Cl)C1CC1
InChIInChI=1S/C12H15Cl/c1-9-4-2-3-5-11(9)8-12(13)10-6-7-10/h2-5,10,12H,6-8H2,1H3
InChIKeyZYKKBSQIZWZHCA-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.71
LogP ≤ 53.55
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

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CID 63543365
1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene
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1-(2-cyclopropylbutyl)-2-methylbenzene
CID 163903555
2-(2-methylphenyl)-1-(4-propylcyclohexyl)ethanol
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2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol
CID 166350753
1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene
CID 63017211
ethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol
CID 91312100
1-(2-chloro-4-cyclohexylbutyl)-2-methylbenzene
CID 55224451
2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol
CID 105078128
1-(2-chloro-2-cyclopropylethyl)-2-(difluoromethylsulfonyl)benzene
CID 55189792
CID 67672299
CID 67672299
1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene?
The IUPAC name of 1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene (CID 63015916) is 1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene.
What is the SMILES notation for 1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene?
The canonical SMILES for 1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene is Cc1ccccc1CC(Cl)C1CC1.
What is the InChIKey of 1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene?
The InChIKey is ZYKKBSQIZWZHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl/c1-9-4-2-3-5-11(9)8-12(13)10-6-7-10/h2-5,10,12H,6-8H2,1H3.
What are the key properties of 1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene?
1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene has a molecular weight of 194.71 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene is sourced from PubChem (CID 63015916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).