1-methyl-2-[(2-methylcyclobutyl)methyl]benzene

C13H18 — CID 163743067

IUPAC1-methyl-2-[(2-methylcyclobutyl)methyl]benzene
SMILESCc1ccccc1CC1CCC1C
InChIInChI=1S/C13H18/c1-10-5-3-4-6-12(10)9-13-8-7-11(13)2/h3-6,11,13H,7-9H2,1-2H3
InChIKeyLJLIQGWCFZUASV-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.58
Rot. Bonds2

About 1-methyl-2-[(2-methylcyclobutyl)methyl]benzene

1-methyl-2-[(2-methylcyclobutyl)methyl]benzene (PubChem CID 163743067) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-methyl-2-[(2-methylcyclobutyl)methyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[(2-methylcyclobutyl)methyl]benzene
PubChem CID163743067
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-methyl-2-[(2-methylcyclobutyl)methyl]benzene
SMILESCc1ccccc1CC1CCC1C
InChIInChI=1S/C13H18/c1-10-5-3-4-6-12(10)9-13-8-7-11(13)2/h3-6,11,13H,7-9H2,1-2H3
InChIKeyLJLIQGWCFZUASV-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2-methylcyclobutyl)methyl]benzene?
The IUPAC name of 1-methyl-2-[(2-methylcyclobutyl)methyl]benzene (CID 163743067) is 1-methyl-2-[(2-methylcyclobutyl)methyl]benzene.
What is the SMILES notation for 1-methyl-2-[(2-methylcyclobutyl)methyl]benzene?
The canonical SMILES for 1-methyl-2-[(2-methylcyclobutyl)methyl]benzene is Cc1ccccc1CC1CCC1C.
What is the InChIKey of 1-methyl-2-[(2-methylcyclobutyl)methyl]benzene?
The InChIKey is LJLIQGWCFZUASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-10-5-3-4-6-12(10)9-13-8-7-11(13)2/h3-6,11,13H,7-9H2,1-2H3.
What are the key properties of 1-methyl-2-[(2-methylcyclobutyl)methyl]benzene?
1-methyl-2-[(2-methylcyclobutyl)methyl]benzene has a molecular weight of 174.29 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2-methylcyclobutyl)methyl]benzene is sourced from PubChem (CID 163743067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).