[2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene

C15H19Cl — CID 116540499

IUPAC[2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene
SMILESCC1(C2CC2c2ccccc2)CCC(Cl)C1
InChIInChI=1S/C15H19Cl/c1-15(8-7-12(16)10-15)14-9-13(14)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3
InChIKeySWACZYZXLOOAJA-UHFFFAOYSA-N
MW234.77 g/mol
LogP4.59
Rot. Bonds2

About [2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene

[2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene (PubChem CID 116540499) has the molecular formula C15H19Cl and a molecular weight of 234.77 g/mol. Its IUPAC name is [2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene.

Molecular Properties

Compound Name[2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene
PubChem CID116540499
Molecular FormulaC15H19Cl
Molecular Weight234.77 g/mol
Exact Mass234.12
IUPAC Name[2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene
SMILESCC1(C2CC2c2ccccc2)CCC(Cl)C1
InChIInChI=1S/C15H19Cl/c1-15(8-7-12(16)10-15)14-9-13(14)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3
InChIKeySWACZYZXLOOAJA-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 54.59
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

13,16-dimethyl-7-phenyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 142082176
[2-[1-(bromomethyl)cyclopropyl]cyclopropyl]benzene
CID 116518517
2,4,4-trimethyl-1-(2-phenylcyclopropyl)cyclopentan-1-ol
CID 106663667
1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene
CID 116540324
dimethyl (1S,5S,6R)-6-phenyl-1-[(1R,2R)-2-phenylcyclopropyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate
CID 135007316
3-hydroxy-1-methyl-4-phenylcyclohexane-1-carbaldehyde
CID 174740650
[(1R,2S)-4,4-dibromo-2-phenylcyclopentyl]benzene
CID 102136520
(5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane
CID 171904735
5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol
CID 116516687
8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline
CID 116540409
(8R,9R,10S,11S,13S,14S)-13-methyl-11-phenyl-1,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 173312164
(4-methoxy-2,4-dimethylcyclohexyl)benzene
CID 175510326

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene?
The IUPAC name of [2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene (CID 116540499) is [2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene.
What is the SMILES notation for [2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene?
The canonical SMILES for [2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene is CC1(C2CC2c2ccccc2)CCC(Cl)C1.
What is the InChIKey of [2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene?
The InChIKey is SWACZYZXLOOAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl/c1-15(8-7-12(16)10-15)14-9-13(14)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3.
What are the key properties of [2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene?
[2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene has a molecular weight of 234.77 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-1-methylcyclopentyl)cyclopropyl]benzene is sourced from PubChem (CID 116540499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).