[(1S,2S)-2-methylcyclobutyl]benzene

C11H14 — CID 5314354

IUPAC[(1S,2S)-2-methylcyclobutyl]benzene
SMILESC[C@H]1CC[C@@H]1c1ccccc1
InChIInChI=1S/C11H14/c1-9-7-8-11(9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11-/m0/s1
InChIKeyITGIKNADGPTMKM-ONGXEEELSA-N
MW146.23 g/mol
LogP3.20
Rot. Bonds1

About [(1S,2S)-2-methylcyclobutyl]benzene

[(1S,2S)-2-methylcyclobutyl]benzene (PubChem CID 5314354) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is [(1S,2S)-2-methylcyclobutyl]benzene.

Molecular Properties

Compound Name[(1S,2S)-2-methylcyclobutyl]benzene
PubChem CID5314354
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name[(1S,2S)-2-methylcyclobutyl]benzene
SMILESC[C@H]1CC[C@@H]1c1ccccc1
InChIInChI=1S/C11H14/c1-9-7-8-11(9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11-/m0/s1
InChIKeyITGIKNADGPTMKM-ONGXEEELSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [(1S,2S)-2-methylcyclobutyl]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

(2-methylcyclopentyl)benzene
CID 12600454
carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
CID 123742009
[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098
(4R)-3-methyl-4-phenylpiperidine
CID 142163683
3-(2-methylcyclobutyl)pyridine
CID 174716389
(3R,4R)-4-methyl-3-phenylpiperidine
CID 129371451
(3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine
CID 91090574
carbonochloridic acid;1-chloro-4-(2-methylcyclobutyl)benzene
CID 88785384
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
(2R,3R,6S)-6-methyl-2,3-diphenyloxane
CID 71654456
(6R)-1,2,6-trimethyl-3-phenylpiperidine
CID 163219493

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-methylcyclobutyl]benzene?
The IUPAC name of [(1S,2S)-2-methylcyclobutyl]benzene (CID 5314354) is [(1S,2S)-2-methylcyclobutyl]benzene.
What is the SMILES notation for [(1S,2S)-2-methylcyclobutyl]benzene?
The canonical SMILES for [(1S,2S)-2-methylcyclobutyl]benzene is C[C@H]1CC[C@@H]1c1ccccc1.
What is the InChIKey of [(1S,2S)-2-methylcyclobutyl]benzene?
The InChIKey is ITGIKNADGPTMKM-ONGXEEELSA-N. The full InChI is InChI=1S/C11H14/c1-9-7-8-11(9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11-/m0/s1.
What are the key properties of [(1S,2S)-2-methylcyclobutyl]benzene?
[(1S,2S)-2-methylcyclobutyl]benzene has a molecular weight of 146.23 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-methylcyclobutyl]benzene is sourced from PubChem (CID 5314354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).