4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene

C14H19Cl — CID 130553721

IUPAC4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene
SMILESCc1ccc(CC(Cl)C2(C)CC2)cc1C
InChIInChI=1S/C14H19Cl/c1-10-4-5-12(8-11(10)2)9-13(15)14(3)6-7-14/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyWCDMUSRXIZTFAT-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.25
Rot. Bonds3

About 4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene

4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene (PubChem CID 130553721) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene
PubChem CID130553721
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene
SMILESCc1ccc(CC(Cl)C2(C)CC2)cc1C
InChIInChI=1S/C14H19Cl/c1-10-4-5-12(8-11(10)2)9-13(15)14(3)6-7-14/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyWCDMUSRXIZTFAT-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 54.25
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

2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827638
4-(2-chloro-3-methylbutyl)-1,2-dimethylbenzene
CID 63520209
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
[2-chloro-2-(1-methylcyclohexyl)ethyl]benzene
CID 106828895
2-chloro-3-(3,4-dimethylphenyl)propanenitrile
CID 82054377
1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063382
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene
CID 50888148
4-(2-ethylbutyl)-1,2-dimethylbenzene
CID 91377891
3-(3,4-dimethylphenyl)-2-methylpropanal
CID 64665590
7-[1-chloro-2-(3,4-dimethylphenyl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66396801
2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769197

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene (CID 130553721) is 4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene is Cc1ccc(CC(Cl)C2(C)CC2)cc1C.
What is the InChIKey of 4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene?
The InChIKey is WCDMUSRXIZTFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c1-10-4-5-12(8-11(10)2)9-13(15)14(3)6-7-14/h4-5,8,13H,6-7,9H2,1-3H3.
What are the key properties of 4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene?
4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene has a molecular weight of 222.76 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-2-(1-methylcyclopropyl)ethyl]-1,2-dimethylbenzene is sourced from PubChem (CID 130553721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).