2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene

C15H21Cl — CID 116540374

IUPAC2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1CC1(C)CCC(Cl)C1
InChIInChI=1S/C15H21Cl/c1-11-5-4-6-12(2)14(11)10-15(3)8-7-13(16)9-15/h4-6,13H,7-10H2,1-3H3
InChIKeyPUKIVOJMBKGYPR-UHFFFAOYSA-N
MW236.79 g/mol
LogP4.64
Rot. Bonds2

About 2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene

2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene (PubChem CID 116540374) has the molecular formula C15H21Cl and a molecular weight of 236.79 g/mol. Its IUPAC name is 2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene
PubChem CID116540374
Molecular FormulaC15H21Cl
Molecular Weight236.79 g/mol
Exact Mass236.13
IUPAC Name2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1CC1(C)CCC(Cl)C1
InChIInChI=1S/C15H21Cl/c1-11-5-4-6-12(2)14(11)10-15(3)8-7-13(16)9-15/h4-6,13H,7-10H2,1-3H3
InChIKeyPUKIVOJMBKGYPR-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
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

4-[(3-chloro-1-methylcyclopentyl)methyl]pyridin-2-amine
CID 116540192
N,3-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 116539047
2-[(3-bromo-1-methylcyclopentyl)methyl]-1,3-difluorobenzene
CID 114934515
3-[(3-chloro-1-methylcyclopentyl)methyl]-2,3-dihydro-1-benzothiophene
CID 116540293
2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene
CID 116540187
3-(3-chloro-1-methylcyclopentyl)-4-methylpyridine
CID 116540327
3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 116539638
1-but-3-enyl-3-chloro-1-methylcyclopentane
CID 116540428
3-[(2,6-dimethylphenyl)methyl]-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171962136
2-[(2,6-dimethylphenyl)methyl]thiolane-2-carboxylic acid
CID 83174391
8-benzyl-3-[(2,6-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171962124
3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane
CID 130856145

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene?
The IUPAC name of 2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene (CID 116540374) is 2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene is Cc1cccc(C)c1CC1(C)CCC(Cl)C1.
What is the InChIKey of 2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene?
The InChIKey is PUKIVOJMBKGYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl/c1-11-5-4-6-12(2)14(11)10-15(3)8-7-13(16)9-15/h4-6,13H,7-10H2,1-3H3.
What are the key properties of 2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene?
2-[(3-chloro-1-methylcyclopentyl)methyl]-1,3-dimethylbenzene has a molecular weight of 236.79 g/mol, XLogP of 4.64, 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)methyl]-1,3-dimethylbenzene is sourced from PubChem (CID 116540374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).