2-methoxy-3-methyl-2-(4-methylsulfanylphenyl)oxirane

C11H14O2S — CID 140985372

IUPAC2-methoxy-3-methyl-2-(4-methylsulfanylphenyl)oxirane
SMILESCOC1(c2ccc(SC)cc2)OC1C
InChIInChI=1S/C11H14O2S/c1-8-11(12-2,13-8)9-4-6-10(14-3)7-5-9/h4-8H,1-3H3
InChIKeyWCLACKVTFCZJJV-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.63
Rot. Bonds3

About 2-methoxy-3-methyl-2-(4-methylsulfanylphenyl)oxirane

2-methoxy-3-methyl-2-(4-methylsulfanylphenyl)oxirane (PubChem CID 140985372) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-methoxy-3-methyl-2-(4-methylsulfanylphenyl)oxirane.

Molecular Properties

Compound Name2-methoxy-3-methyl-2-(4-methylsulfanylphenyl)oxirane
PubChem CID140985372
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2-methoxy-3-methyl-2-(4-methylsulfanylphenyl)oxirane
SMILESCOC1(c2ccc(SC)cc2)OC1C
InChIInChI=1S/C11H14O2S/c1-8-11(12-2,13-8)9-4-6-10(14-3)7-5-9/h4-8H,1-3H3
InChIKeyWCLACKVTFCZJJV-UHFFFAOYSA-N
XLogP2.63
TPSA21.76 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 ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-2-(4-methylsulfanylphenyl)oxirane?
The IUPAC name of 2-methoxy-3-methyl-2-(4-methylsulfanylphenyl)oxirane (CID 140985372) is 2-methoxy-3-methyl-2-(4-methylsulfanylphenyl)oxirane.
What is the SMILES notation for 2-methoxy-3-methyl-2-(4-methylsulfanylphenyl)oxirane?
The canonical SMILES for 2-methoxy-3-methyl-2-(4-methylsulfanylphenyl)oxirane is COC1(c2ccc(SC)cc2)OC1C.
What is the InChIKey of 2-methoxy-3-methyl-2-(4-methylsulfanylphenyl)oxirane?
The InChIKey is WCLACKVTFCZJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-8-11(12-2,13-8)9-4-6-10(14-3)7-5-9/h4-8H,1-3H3.
What are the key properties of 2-methoxy-3-methyl-2-(4-methylsulfanylphenyl)oxirane?
2-methoxy-3-methyl-2-(4-methylsulfanylphenyl)oxirane has a molecular weight of 210.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-2-(4-methylsulfanylphenyl)oxirane is sourced from PubChem (CID 140985372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).