1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene

C15H21Cl — CID 82083786

IUPAC1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C2(CCl)CCCC2)cc1
InChIInChI=1S/C15H21Cl/c1-12(2)13-5-7-14(8-6-13)15(11-16)9-3-4-10-15/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyCDFYJVHIXHNLIY-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.86
Rot. Bonds3

About 1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene

1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene (PubChem CID 82083786) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene
PubChem CID82083786
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C2(CCl)CCCC2)cc1
InChIInChI=1S/C15H21Cl/c1-12(2)13-5-7-14(8-6-13)15(11-16)9-3-4-10-15/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyCDFYJVHIXHNLIY-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine
CID 63509928
1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene
CID 82094186
N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 63512101
1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119780045
(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide
CID 119321524
1-(4-propan-2-ylphenyl)cyclobutan-1-amine
CID 43146614
4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene
CID 82084196
4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine
CID 82480025
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
CID 13083334
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
[3-propan-2-yl-1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 65017231

Frequently Asked Questions

What is the IUPAC name of 1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene?
The IUPAC name of 1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene (CID 82083786) is 1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene is CC(C)c1ccc(C2(CCl)CCCC2)cc1.
What is the InChIKey of 1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene?
The InChIKey is CDFYJVHIXHNLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-12(2)13-5-7-14(8-6-13)15(11-16)9-3-4-10-15/h5-8,12H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene?
1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene has a molecular weight of 236.79 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene is sourced from PubChem (CID 82083786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).