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

C13H17Cl — CID 63433985

IUPAC2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(Cl)CC2CC2)c1
InChIInChI=1S/C13H17Cl/c1-9-3-4-10(2)12(7-9)13(14)8-11-5-6-11/h3-4,7,11,13H,5-6,8H2,1-2H3
InChIKeyQADFCPZUKPHBPD-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.38
Rot. Bonds3

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

2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene (PubChem CID 63433985) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene
PubChem CID63433985
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(Cl)CC2CC2)c1
InChIInChI=1S/C13H17Cl/c1-9-3-4-10(2)12(7-9)13(14)8-11-5-6-11/h3-4,7,11,13H,5-6,8H2,1-2H3
InChIKeyQADFCPZUKPHBPD-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
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-(1-chloro-2-cyclopentylethyl)-2,4-dimethylbenzene
CID 63429933
2-(1-chloro-2-cyclobutylethyl)-1-methoxy-4-methylbenzene
CID 103165692
(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65410620
1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906876
2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 114457580
3-[chloro-(2,5-dimethylphenyl)methyl]oxolane
CID 61276891
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63433987
N-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 55001111
1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethylbenzene
CID 103165599
2-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 55297664
2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893771
2-cyclopropyl-1-(2,5-dimethylphenyl)propan-1-amine
CID 83154374

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene?
The IUPAC name of 2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene (CID 63433985) is 2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene is Cc1ccc(C)c(C(Cl)CC2CC2)c1.
What is the InChIKey of 2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene?
The InChIKey is QADFCPZUKPHBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c1-9-3-4-10(2)12(7-9)13(14)8-11-5-6-11/h3-4,7,11,13H,5-6,8H2,1-2H3.
What are the key properties of 2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene?
2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene has a molecular weight of 208.73 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene is sourced from PubChem (CID 63433985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).