1-(2-chlorocyclopropyl)-4-ethylbenzene

C11H13Cl — CID 154973164

IUPAC1-(2-chlorocyclopropyl)-4-ethylbenzene
SMILESCCc1ccc(C2CC2Cl)cc1
InChIInChI=1S/C11H13Cl/c1-2-8-3-5-9(6-4-8)10-7-11(10)12/h3-6,10-11H,2,7H2,1H3
InChIKeyNVEUVJCCIVWRFP-UHFFFAOYSA-N
MW180.68 g/mol
LogP3.34
Rot. Bonds2

About 1-(2-chlorocyclopropyl)-4-ethylbenzene

1-(2-chlorocyclopropyl)-4-ethylbenzene (PubChem CID 154973164) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 1-(2-chlorocyclopropyl)-4-ethylbenzene.

Molecular Properties

Compound Name1-(2-chlorocyclopropyl)-4-ethylbenzene
PubChem CID154973164
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name1-(2-chlorocyclopropyl)-4-ethylbenzene
SMILESCCc1ccc(C2CC2Cl)cc1
InChIInChI=1S/C11H13Cl/c1-2-8-3-5-9(6-4-8)10-7-11(10)12/h3-6,10-11H,2,7H2,1H3
InChIKeyNVEUVJCCIVWRFP-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 53.34
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-chloro-2-(4-ethylphenyl)cycloheptane
CID 63510791
2-ethyl-3-(4-ethylphenyl)cyclobutan-1-amine
CID 81415991
(1R)-1-[(1S,2S)-2-(4-ethylphenyl)cyclopropyl]ethanol
CID 28912216
1-(2-chlorocyclopropyl)-4-methoxybenzene
CID 53421606
N-ethyl-3-(4-ethylphenyl)-2-methylcyclobutan-1-amine
CID 81417273
2-(4-ethylphenyl)cyclopentan-1-amine
CID 62605664
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
2-(4-ethylphenyl)oxirane
CID 10374595
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141
N-benzyl-3-[4-(2-chlorocyclopropyl)phenyl]-N-propylpropan-1-amine
CID 70243047
N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712268

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorocyclopropyl)-4-ethylbenzene?
The IUPAC name of 1-(2-chlorocyclopropyl)-4-ethylbenzene (CID 154973164) is 1-(2-chlorocyclopropyl)-4-ethylbenzene.
What is the SMILES notation for 1-(2-chlorocyclopropyl)-4-ethylbenzene?
The canonical SMILES for 1-(2-chlorocyclopropyl)-4-ethylbenzene is CCc1ccc(C2CC2Cl)cc1.
What is the InChIKey of 1-(2-chlorocyclopropyl)-4-ethylbenzene?
The InChIKey is NVEUVJCCIVWRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c1-2-8-3-5-9(6-4-8)10-7-11(10)12/h3-6,10-11H,2,7H2,1H3.
What are the key properties of 1-(2-chlorocyclopropyl)-4-ethylbenzene?
1-(2-chlorocyclopropyl)-4-ethylbenzene has a molecular weight of 180.68 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorocyclopropyl)-4-ethylbenzene is sourced from PubChem (CID 154973164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).