1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene

C15H19Cl — CID 123226246

IUPAC1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene
SMILESCCc1ccc(C2(C(C)=C(C)Cl)CC2)cc1
InChIInChI=1S/C15H19Cl/c1-4-13-5-7-14(8-6-13)15(9-10-15)11(2)12(3)16/h5-8H,4,9-10H2,1-3H3
InChIKeyZBRSUSYDVWUCHU-UHFFFAOYSA-N
MW234.77 g/mol
LogP4.81
Rot. Bonds3

About 1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene

1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene (PubChem CID 123226246) has the molecular formula C15H19Cl and a molecular weight of 234.77 g/mol. Its IUPAC name is 1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene.

Molecular Properties

Compound Name1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene
PubChem CID123226246
Molecular FormulaC15H19Cl
Molecular Weight234.77 g/mol
Exact Mass234.12
IUPAC Name1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene
SMILESCCc1ccc(C2(C(C)=C(C)Cl)CC2)cc1
InChIInChI=1S/C15H19Cl/c1-4-13-5-7-14(8-6-13)15(9-10-15)11(2)12(3)16/h5-8H,4,9-10H2,1-3H3
InChIKeyZBRSUSYDVWUCHU-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene?
The IUPAC name of 1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene (CID 123226246) is 1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene.
What is the SMILES notation for 1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene?
The canonical SMILES for 1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene is CCc1ccc(C2(C(C)=C(C)Cl)CC2)cc1.
What is the InChIKey of 1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene?
The InChIKey is ZBRSUSYDVWUCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl/c1-4-13-5-7-14(8-6-13)15(9-10-15)11(2)12(3)16/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene?
1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene has a molecular weight of 234.77 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorobut-2-en-2-yl)cyclopropyl]-4-ethylbenzene is sourced from PubChem (CID 123226246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).