1-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene

C13H15Cl — CID 57303592

IUPAC1-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene
SMILESCC1(C)CCC=C1c1ccccc1Cl
InChIInChI=1S/C13H15Cl/c1-13(2)9-5-7-11(13)10-6-3-4-8-12(10)14/h3-4,6-8H,5,9H2,1-2H3
InChIKeySNZQJMKGASSDBX-UHFFFAOYSA-N
MW206.72 g/mol
LogP4.54
Rot. Bonds1

About 1-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene

1-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene (PubChem CID 57303592) has the molecular formula C13H15Cl and a molecular weight of 206.72 g/mol. Its IUPAC name is 1-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene.

Molecular Properties

Compound Name1-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene
PubChem CID57303592
Molecular FormulaC13H15Cl
Molecular Weight206.72 g/mol
Exact Mass206.09
IUPAC Name1-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene
SMILESCC1(C)CCC=C1c1ccccc1Cl
InChIInChI=1S/C13H15Cl/c1-13(2)9-5-7-11(13)10-6-3-4-8-12(10)14/h3-4,6-8H,5,9H2,1-2H3
InChIKeySNZQJMKGASSDBX-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene 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-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene?
The IUPAC name of 1-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene (CID 57303592) is 1-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene.
What is the SMILES notation for 1-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene?
The canonical SMILES for 1-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene is CC1(C)CCC=C1c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene?
The InChIKey is SNZQJMKGASSDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl/c1-13(2)9-5-7-11(13)10-6-3-4-8-12(10)14/h3-4,6-8H,5,9H2,1-2H3.
What are the key properties of 1-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene?
1-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene has a molecular weight of 206.72 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(5,5-dimethylcyclopenten-1-yl)benzene is sourced from PubChem (CID 57303592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).