1-methyl-3-[(3-methylcyclopentyl)methyl]benzene

C14H20 — CID 123940135

IUPAC1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
SMILESCc1cccc(CC2CCC(C)C2)c1
InChIInChI=1S/C14H20/c1-11-4-3-5-13(8-11)10-14-7-6-12(2)9-14/h3-5,8,12,14H,6-7,9-10H2,1-2H3
InChIKeySUPBZXPRXCWDCA-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.97
Rot. Bonds2

About 1-methyl-3-[(3-methylcyclopentyl)methyl]benzene

1-methyl-3-[(3-methylcyclopentyl)methyl]benzene (PubChem CID 123940135) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-methyl-3-[(3-methylcyclopentyl)methyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
PubChem CID123940135
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
SMILESCc1cccc(CC2CCC(C)C2)c1
InChIInChI=1S/C14H20/c1-11-4-3-5-13(8-11)10-14-7-6-12(2)9-14/h3-5,8,12,14H,6-7,9-10H2,1-2H3
InChIKeySUPBZXPRXCWDCA-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene
CID 158679875
1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene
CID 167535995
3-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 64504844
[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 81010967
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
ethane;methylcyclopropane;1,3-xylene
CID 142338532
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281
hydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene
CID 175255375
3-[(3-methylphenyl)methyl]cyclohexan-1-one
CID 64520140

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methylcyclopentyl)methyl]benzene?
The IUPAC name of 1-methyl-3-[(3-methylcyclopentyl)methyl]benzene (CID 123940135) is 1-methyl-3-[(3-methylcyclopentyl)methyl]benzene.
What is the SMILES notation for 1-methyl-3-[(3-methylcyclopentyl)methyl]benzene?
The canonical SMILES for 1-methyl-3-[(3-methylcyclopentyl)methyl]benzene is Cc1cccc(CC2CCC(C)C2)c1.
What is the InChIKey of 1-methyl-3-[(3-methylcyclopentyl)methyl]benzene?
The InChIKey is SUPBZXPRXCWDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-11-4-3-5-13(8-11)10-14-7-6-12(2)9-14/h3-5,8,12,14H,6-7,9-10H2,1-2H3.
What are the key properties of 1-methyl-3-[(3-methylcyclopentyl)methyl]benzene?
1-methyl-3-[(3-methylcyclopentyl)methyl]benzene has a molecular weight of 188.31 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methylcyclopentyl)methyl]benzene is sourced from PubChem (CID 123940135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).