1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene

C15H21Cl — CID 116540273

IUPAC1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C2(C)CCC(Cl)C2)cc1
InChIInChI=1S/C15H21Cl/c1-11(2)12-4-6-13(7-5-12)15(3)9-8-14(16)10-15/h4-7,11,14H,8-10H2,1-3H3
InChIKeyJZKNEYBBBWWIOW-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.86
Rot. Bonds2

About 1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene

1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene (PubChem CID 116540273) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene
PubChem CID116540273
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C2(C)CCC(Cl)C2)cc1
InChIInChI=1S/C15H21Cl/c1-11(2)12-4-6-13(7-5-12)15(3)9-8-14(16)10-15/h4-7,11,14H,8-10H2,1-3H3
InChIKeyJZKNEYBBBWWIOW-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene (CID 116540273) is 1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene is CC(C)c1ccc(C2(C)CCC(Cl)C2)cc1.
What is the InChIKey of 1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene?
The InChIKey is JZKNEYBBBWWIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-11(2)12-4-6-13(7-5-12)15(3)9-8-14(16)10-15/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of 1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene?
1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene has a molecular weight of 236.79 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1-methylcyclopentyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 116540273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).