2-chloro-1-cyclopropyl-4-ethylbenzene

C11H13Cl — CID 138612116

IUPAC2-chloro-1-cyclopropyl-4-ethylbenzene
SMILESCCc1ccc(C2CC2)c(Cl)c1
InChIInChI=1S/C11H13Cl/c1-2-8-3-6-10(9-4-5-9)11(12)7-8/h3,6-7,9H,2,4-5H2,1H3
InChIKeyATCXSCIALKOHKQ-UHFFFAOYSA-N
MW180.68 g/mol
LogP3.78
Rot. Bonds2

About 2-chloro-1-cyclopropyl-4-ethylbenzene

2-chloro-1-cyclopropyl-4-ethylbenzene (PubChem CID 138612116) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 2-chloro-1-cyclopropyl-4-ethylbenzene.

Molecular Properties

Compound Name2-chloro-1-cyclopropyl-4-ethylbenzene
PubChem CID138612116
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name2-chloro-1-cyclopropyl-4-ethylbenzene
SMILESCCc1ccc(C2CC2)c(Cl)c1
InChIInChI=1S/C11H13Cl/c1-2-8-3-6-10(9-4-5-9)11(12)7-8/h3,6-7,9H,2,4-5H2,1H3
InChIKeyATCXSCIALKOHKQ-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-cyclopropyl-4-ethylbenzene?
The IUPAC name of 2-chloro-1-cyclopropyl-4-ethylbenzene (CID 138612116) is 2-chloro-1-cyclopropyl-4-ethylbenzene.
What is the SMILES notation for 2-chloro-1-cyclopropyl-4-ethylbenzene?
The canonical SMILES for 2-chloro-1-cyclopropyl-4-ethylbenzene is CCc1ccc(C2CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-cyclopropyl-4-ethylbenzene?
The InChIKey is ATCXSCIALKOHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c1-2-8-3-6-10(9-4-5-9)11(12)7-8/h3,6-7,9H,2,4-5H2,1H3.
What are the key properties of 2-chloro-1-cyclopropyl-4-ethylbenzene?
2-chloro-1-cyclopropyl-4-ethylbenzene has a molecular weight of 180.68 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclopropyl-4-ethylbenzene is sourced from PubChem (CID 138612116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).