(2-methylcyclopentyl)benzene

C12H16 — CID 12600454

IUPAC(2-methylcyclopentyl)benzene
SMILESCC1CCCC1c1ccccc1
InChIInChI=1S/C12H16/c1-10-6-5-9-12(10)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3
InChIKeyHUBOCMUMJWHHEY-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.59
Rot. Bonds1

About (2-methylcyclopentyl)benzene

(2-methylcyclopentyl)benzene (PubChem CID 12600454) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is (2-methylcyclopentyl)benzene.

Molecular Properties

Compound Name(2-methylcyclopentyl)benzene
PubChem CID12600454
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name(2-methylcyclopentyl)benzene
SMILESCC1CCCC1c1ccccc1
InChIInChI=1S/C12H16/c1-10-6-5-9-12(10)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3
InChIKeyHUBOCMUMJWHHEY-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
CID 123742009
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
methane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene)
CID 162268984
1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene
CID 58641993
3-(2-methylcyclopentyl)aniline
CID 165463165
CID 135048454
CID 135048454
(3R,4R)-1,3-dimethyl-4-phenylazepane
CID 125480807
[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098
(4R)-3-methyl-4-phenylpiperidine
CID 142163683
(2R,3R)-1,2-dimethyl-3-phenylpiperidine
CID 97355864
(3R,4R)-4-methyl-3-phenylpiperidine
CID 129371451
dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 91269102

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopentyl)benzene?
The IUPAC name of (2-methylcyclopentyl)benzene (CID 12600454) is (2-methylcyclopentyl)benzene.
What is the SMILES notation for (2-methylcyclopentyl)benzene?
The canonical SMILES for (2-methylcyclopentyl)benzene is CC1CCCC1c1ccccc1.
What is the InChIKey of (2-methylcyclopentyl)benzene?
The InChIKey is HUBOCMUMJWHHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-10-6-5-9-12(10)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3.
What are the key properties of (2-methylcyclopentyl)benzene?
(2-methylcyclopentyl)benzene has a molecular weight of 160.26 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopentyl)benzene is sourced from PubChem (CID 12600454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).