2-(1-methoxyethyl)phenoxathiine

C15H14O2S — CID 515185

IUPAC2-(1-methoxyethyl)phenoxathiine
SMILESCOC(C)c1ccc2c(c1)Sc1ccccc1O2
InChIInChI=1S/C15H14O2S/c1-10(16-2)11-7-8-13-15(9-11)18-14-6-4-3-5-12(14)17-13/h3-10H,1-2H3
InChIKeyLPUYCELXOGGMAD-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.65
Rot. Bonds2

About 2-(1-methoxyethyl)phenoxathiine

2-(1-methoxyethyl)phenoxathiine (PubChem CID 515185) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(1-methoxyethyl)phenoxathiine.

Molecular Properties

Compound Name2-(1-methoxyethyl)phenoxathiine
PubChem CID515185
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name2-(1-methoxyethyl)phenoxathiine
SMILESCOC(C)c1ccc2c(c1)Sc1ccccc1O2
InChIInChI=1S/C15H14O2S/c1-10(16-2)11-7-8-13-15(9-11)18-14-6-4-3-5-12(14)17-13/h3-10H,1-2H3
InChIKeyLPUYCELXOGGMAD-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Ethyl-3-trifluoromethyl-2,3-dihydro-benzo[1,4]oxathiine 4,4-dioxide
CID 571273
2,8-Dimethylphenoxathiin
CID 186060
3-Ethyl-phenoxathiine
CID 10633121
4-Ethyl-phenoxathiine 10,10-dioxide
CID 10730054
2-Ethyl-phenoxathiine 10,10-dioxide
CID 10848921
4-Methyl-phenoxathiine 10,10-dioxide
CID 44307520
2-(4-Methoxyphenyl)-2,3-dihydro-1,4-benzoxathiine-5,7-diol
CID 10517608
1-(1-Methoxy-ethyl)-phenoxathiine 10,10-dioxide
CID 10637239
2-(4-Hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
CID 11161281
2-(4-Hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-7-ol
CID 11299942
1,4-Benzoxathiin-7-ol, 2,3-dihydro-2-(4-methoxyphenyl)-
CID 11460016
4-(7-Methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol
CID 24863523

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)phenoxathiine?
The IUPAC name of 2-(1-methoxyethyl)phenoxathiine (CID 515185) is 2-(1-methoxyethyl)phenoxathiine.
What is the SMILES notation for 2-(1-methoxyethyl)phenoxathiine?
The canonical SMILES for 2-(1-methoxyethyl)phenoxathiine is COC(C)c1ccc2c(c1)Sc1ccccc1O2.
What is the InChIKey of 2-(1-methoxyethyl)phenoxathiine?
The InChIKey is LPUYCELXOGGMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-10(16-2)11-7-8-13-15(9-11)18-14-6-4-3-5-12(14)17-13/h3-10H,1-2H3.
What are the key properties of 2-(1-methoxyethyl)phenoxathiine?
2-(1-methoxyethyl)phenoxathiine has a molecular weight of 258.34 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)phenoxathiine is sourced from PubChem (CID 515185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).