1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene

C13H18 — CID 58641993

IUPAC1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene
SMILESCc1cccc([C@H]2CCC[C@H]2C)c1
InChIInChI=1S/C13H18/c1-10-5-3-7-12(9-10)13-8-4-6-11(13)2/h3,5,7,9,11,13H,4,6,8H2,1-2H3/t11-,13+/m1/s1
InChIKeyFHHWUCRUUKGWFT-YPMHNXCESA-N
MW174.29 g/mol
LogP3.90
Rot. Bonds1

About 1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene

1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene (PubChem CID 58641993) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene
PubChem CID58641993
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene
SMILESCc1cccc([C@H]2CCC[C@H]2C)c1
InChIInChI=1S/C13H18/c1-10-5-3-7-12(9-10)13-8-4-6-11(13)2/h3,5,7,9,11,13H,4,6,8H2,1-2H3/t11-,13+/m1/s1
InChIKeyFHHWUCRUUKGWFT-YPMHNXCESA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylcyclopentyl)aniline
CID 165463165
(2-methylcyclopentyl)benzene
CID 12600454
trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol
CID 36688903
1-[(2R)-5,5-difluoro-2-methylcyclohexyl]-3-methylbenzene
CID 138569427
N-ethyl-2-(3-methylphenyl)cycloheptan-1-amine
CID 62604421
trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride
CID 170914369
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
3-methyl-5-[(1S,2R)-2-methylcyclohexyl]aniline
CID 125449769
ethyl 3-[(1R,2S)-2-methylcyclohexyl]benzoate
CID 58617185
2-[2-(3-methylphenyl)cycloheptyl]acetonitrile
CID 82242576
carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
CID 123742009
5-methyl-2-[(1S,2R)-2-methylcyclohexyl]aniline
CID 125449672

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene?
The IUPAC name of 1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene (CID 58641993) is 1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene.
What is the SMILES notation for 1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene?
The canonical SMILES for 1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene is Cc1cccc([C@H]2CCC[C@H]2C)c1.
What is the InChIKey of 1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene?
The InChIKey is FHHWUCRUUKGWFT-YPMHNXCESA-N. The full InChI is InChI=1S/C13H18/c1-10-5-3-7-12(9-10)13-8-4-6-11(13)2/h3,5,7,9,11,13H,4,6,8H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of 1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene?
1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene has a molecular weight of 174.29 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene is sourced from PubChem (CID 58641993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).