4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene

C13H17Cl — CID 82077773

IUPAC4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene
SMILESCc1ccc(C(CCl)C2CC2)cc1C
InChIInChI=1S/C13H17Cl/c1-9-3-4-12(7-10(9)2)13(8-14)11-5-6-11/h3-4,7,11,13H,5-6,8H2,1-2H3
InChIKeyJEEMFGJYPMROBP-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.04
Rot. Bonds3

About 4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene

4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene (PubChem CID 82077773) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene
PubChem CID82077773
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene
SMILESCc1ccc(C(CCl)C2CC2)cc1C
InChIInChI=1S/C13H17Cl/c1-9-3-4-12(7-10(9)2)13(8-14)11-5-6-11/h3-4,7,11,13H,5-6,8H2,1-2H3
InChIKeyJEEMFGJYPMROBP-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.04
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

(1R,5R)-1,5-dicyclopropyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 97304311
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CID 82079052
2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene
CID 82094244
1,5-dicyclopentyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011666
1,5-di(cyclobutyl)-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011541
(1R,5R)-1,5-dicyclohexyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 97304221
2-(2-chloro-1-cyclopropylethyl)-1,3,5-trimethylbenzene
CID 82080407
(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
CID 83000699
2-(3,4-dimethylphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 83972701
N-(4-acetamidophenyl)-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 110423890
2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine
CID 55269434
2-(3,4-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 83972711

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene (CID 82077773) is 4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene is Cc1ccc(C(CCl)C2CC2)cc1C.
What is the InChIKey of 4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene?
The InChIKey is JEEMFGJYPMROBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c1-9-3-4-12(7-10(9)2)13(8-14)11-5-6-11/h3-4,7,11,13H,5-6,8H2,1-2H3.
What are the key properties of 4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene?
4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene has a molecular weight of 208.73 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-1-cyclopropylethyl)-1,2-dimethylbenzene is sourced from PubChem (CID 82077773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).