3-methoxy-3-(4-methylsulfanylphenyl)oxetane

C11H14O2S — CID 116875976

IUPAC3-methoxy-3-(4-methylsulfanylphenyl)oxetane
SMILESCOC1(c2ccc(SC)cc2)COC1
InChIInChI=1S/C11H14O2S/c1-12-11(7-13-8-11)9-3-5-10(14-2)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyMFTVNUQENBNLKW-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.28
Rot. Bonds3

About 3-methoxy-3-(4-methylsulfanylphenyl)oxetane

3-methoxy-3-(4-methylsulfanylphenyl)oxetane (PubChem CID 116875976) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-methoxy-3-(4-methylsulfanylphenyl)oxetane.

Molecular Properties

Compound Name3-methoxy-3-(4-methylsulfanylphenyl)oxetane
PubChem CID116875976
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name3-methoxy-3-(4-methylsulfanylphenyl)oxetane
SMILESCOC1(c2ccc(SC)cc2)COC1
InChIInChI=1S/C11H14O2S/c1-12-11(7-13-8-11)9-3-5-10(14-2)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyMFTVNUQENBNLKW-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(4-methylsulfanylphenyl)oxetane?
The IUPAC name of 3-methoxy-3-(4-methylsulfanylphenyl)oxetane (CID 116875976) is 3-methoxy-3-(4-methylsulfanylphenyl)oxetane.
What is the SMILES notation for 3-methoxy-3-(4-methylsulfanylphenyl)oxetane?
The canonical SMILES for 3-methoxy-3-(4-methylsulfanylphenyl)oxetane is COC1(c2ccc(SC)cc2)COC1.
What is the InChIKey of 3-methoxy-3-(4-methylsulfanylphenyl)oxetane?
The InChIKey is MFTVNUQENBNLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-12-11(7-13-8-11)9-3-5-10(14-2)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 3-methoxy-3-(4-methylsulfanylphenyl)oxetane?
3-methoxy-3-(4-methylsulfanylphenyl)oxetane has a molecular weight of 210.30 g/mol, XLogP of 2.28, 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-methylsulfanylphenyl)oxetane is sourced from PubChem (CID 116875976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).