3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane

C13H18O3 — CID 116875962

IUPAC3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane
SMILESCOc1ccc(C2(OC)COC2)c(C)c1C
InChIInChI=1S/C13H18O3/c1-9-10(2)12(14-3)6-5-11(9)13(15-4)7-16-8-13/h5-6H,7-8H2,1-4H3
InChIKeyXWHBATNRBCKLFI-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.18
Rot. Bonds3

About 3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane

3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane (PubChem CID 116875962) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane.

Molecular Properties

Compound Name3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane
PubChem CID116875962
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane
SMILESCOc1ccc(C2(OC)COC2)c(C)c1C
InChIInChI=1S/C13H18O3/c1-9-10(2)12(14-3)6-5-11(9)13(15-4)7-16-8-13/h5-6H,7-8H2,1-4H3
InChIKeyXWHBATNRBCKLFI-UHFFFAOYSA-N
XLogP2.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)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-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane?
The IUPAC name of 3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane (CID 116875962) is 3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane.
What is the SMILES notation for 3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane?
The canonical SMILES for 3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane is COc1ccc(C2(OC)COC2)c(C)c1C.
What is the InChIKey of 3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane?
The InChIKey is XWHBATNRBCKLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9-10(2)12(14-3)6-5-11(9)13(15-4)7-16-8-13/h5-6H,7-8H2,1-4H3.
What are the key properties of 3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane?
3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane has a molecular weight of 222.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane is sourced from PubChem (CID 116875962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).