3-[1-(2-methylphenyl)butan-2-yl]oxetane

C14H20O — CID 174652828

IUPAC3-[1-(2-methylphenyl)butan-2-yl]oxetane
SMILESCCC(Cc1ccccc1C)C1COC1
InChIInChI=1S/C14H20O/c1-3-12(14-9-15-10-14)8-13-7-5-4-6-11(13)2/h4-7,12,14H,3,8-10H2,1-2H3
InChIKeyMSCQHBSBGZEPEF-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.21
Rot. Bonds4

About 3-[1-(2-methylphenyl)butan-2-yl]oxetane

3-[1-(2-methylphenyl)butan-2-yl]oxetane (PubChem CID 174652828) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-[1-(2-methylphenyl)butan-2-yl]oxetane.

Molecular Properties

Compound Name3-[1-(2-methylphenyl)butan-2-yl]oxetane
PubChem CID174652828
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-[1-(2-methylphenyl)butan-2-yl]oxetane
SMILESCCC(Cc1ccccc1C)C1COC1
InChIInChI=1S/C14H20O/c1-3-12(14-9-15-10-14)8-13-7-5-4-6-11(13)2/h4-7,12,14H,3,8-10H2,1-2H3
InChIKeyMSCQHBSBGZEPEF-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[1-(2-methylphenyl)butan-2-yl]oxetane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylphenyl)butan-2-yl]oxetane?
The IUPAC name of 3-[1-(2-methylphenyl)butan-2-yl]oxetane (CID 174652828) is 3-[1-(2-methylphenyl)butan-2-yl]oxetane.
What is the SMILES notation for 3-[1-(2-methylphenyl)butan-2-yl]oxetane?
The canonical SMILES for 3-[1-(2-methylphenyl)butan-2-yl]oxetane is CCC(Cc1ccccc1C)C1COC1.
What is the InChIKey of 3-[1-(2-methylphenyl)butan-2-yl]oxetane?
The InChIKey is MSCQHBSBGZEPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-12(14-9-15-10-14)8-13-7-5-4-6-11(13)2/h4-7,12,14H,3,8-10H2,1-2H3.
What are the key properties of 3-[1-(2-methylphenyl)butan-2-yl]oxetane?
3-[1-(2-methylphenyl)butan-2-yl]oxetane has a molecular weight of 204.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylphenyl)butan-2-yl]oxetane is sourced from PubChem (CID 174652828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).