1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene

C15H21Cl — CID 116545883

IUPAC1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene
SMILESCC(C)Cc1cccc(C2CCC(Cl)C2)c1
InChIInChI=1S/C15H21Cl/c1-11(2)8-12-4-3-5-13(9-12)14-6-7-15(16)10-14/h3-5,9,11,14-15H,6-8,10H2,1-2H3
InChIKeyWYPSVJZOXNBECZ-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.76
Rot. Bonds3

About 1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene

1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene (PubChem CID 116545883) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene
PubChem CID116545883
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene
SMILESCC(C)Cc1cccc(C2CCC(Cl)C2)c1
InChIInChI=1S/C15H21Cl/c1-11(2)8-12-4-3-5-13(9-12)14-6-7-15(16)10-14/h3-5,9,11,14-15H,6-8,10H2,1-2H3
InChIKeyWYPSVJZOXNBECZ-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 54.76
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

1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072
1-chloro-3-(3-propylphenyl)cycloheptane
CID 116545888
2-[3-(2-methylpropyl)phenyl]cyclopentan-1-one
CID 112705489
1-chloro-3-(3-methylphenyl)cycloheptane
CID 64506624
2-[3-(2-methylpropyl)phenyl]azepane
CID 116545597
3-(3-cyclohexylphenyl)-2-methylpropanoic acid
CID 115006126
1-[3-(oxan-4-yl)phenyl]propan-2-amine
CID 117313397
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356483
1-chloro-3-(2-methylpropyl)benzene;propan-2-ylcyclobutane
CID 163536568
1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine
CID 117292971
2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 59601190
N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine
CID 116545575

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene?
The IUPAC name of 1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene (CID 116545883) is 1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene.
What is the SMILES notation for 1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene?
The canonical SMILES for 1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene is CC(C)Cc1cccc(C2CCC(Cl)C2)c1.
What is the InChIKey of 1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene?
The InChIKey is WYPSVJZOXNBECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-11(2)8-12-4-3-5-13(9-12)14-6-7-15(16)10-14/h3-5,9,11,14-15H,6-8,10H2,1-2H3.
What are the key properties of 1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene?
1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene has a molecular weight of 236.79 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclopentyl)-3-(2-methylpropyl)benzene is sourced from PubChem (CID 116545883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).