1-(1-methoxyethyl)phenoxathiine 10,10-dioxide

C15H14O4S — CID 10637239

IUPAC1-(1-methoxyethyl)phenoxathiine 10,10-dioxide
SMILESCOC(C)c1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C15H14O4S/c1-10(18-2)11-6-5-8-13-15(11)20(16,17)14-9-4-3-7-12(14)19-13/h3-10H,1-2H3
InChIKeyQKZWCEOBPNTWFL-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.33
Rot. Bonds2

About 1-(1-methoxyethyl)phenoxathiine 10,10-dioxide

1-(1-methoxyethyl)phenoxathiine 10,10-dioxide (PubChem CID 10637239) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(1-methoxyethyl)phenoxathiine 10,10-dioxide.

Molecular Properties

Compound Name1-(1-methoxyethyl)phenoxathiine 10,10-dioxide
PubChem CID10637239
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name1-(1-methoxyethyl)phenoxathiine 10,10-dioxide
SMILESCOC(C)c1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C15H14O4S/c1-10(18-2)11-6-5-8-13-15(11)20(16,17)14-9-4-3-7-12(14)19-13/h3-10H,1-2H3
InChIKeyQKZWCEOBPNTWFL-UHFFFAOYSA-N
XLogP3.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethylphenoxathiin 10,10-dioxide
CID 126111
1-Phenoxathiinethanol, 10,10-dioxide
CID 9860394
1-(1-Hydroxyethyl)phenoxathiin 10,10-dioxide
CID 9993586
1-Ethenylphenoxathiine 10,10-dioxide
CID 10038124
3-Methyl-phenoxathiine 10,10-dioxide
CID 15259943
1-Methyl-phenoxathiine 10,10-dioxide
CID 10490634
9-Ethyl-10,10-dioxo-10H-10lambda*6*-phenoxathiin-3-ol
CID 10492702
1-Bromomethyl-phenoxathiine 10,10-dioxide
CID 10520068
1,9-Dimethyl-phenoxathiine 10,10-dioxide
CID 10563288
3-Ethyl-phenoxathiine 10,10-dioxide
CID 10587420
3-Ethyl-phenoxathiine
CID 10633121
1-Trifluoromethyl-phenoxathiine 10,10-dioxide
CID 10637921

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethyl)phenoxathiine 10,10-dioxide?
The IUPAC name of 1-(1-methoxyethyl)phenoxathiine 10,10-dioxide (CID 10637239) is 1-(1-methoxyethyl)phenoxathiine 10,10-dioxide.
What is the SMILES notation for 1-(1-methoxyethyl)phenoxathiine 10,10-dioxide?
The canonical SMILES for 1-(1-methoxyethyl)phenoxathiine 10,10-dioxide is COC(C)c1cccc2c1S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 1-(1-methoxyethyl)phenoxathiine 10,10-dioxide?
The InChIKey is QKZWCEOBPNTWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-10(18-2)11-6-5-8-13-15(11)20(16,17)14-9-4-3-7-12(14)19-13/h3-10H,1-2H3.
What are the key properties of 1-(1-methoxyethyl)phenoxathiine 10,10-dioxide?
1-(1-methoxyethyl)phenoxathiine 10,10-dioxide has a molecular weight of 290.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethyl)phenoxathiine 10,10-dioxide is sourced from PubChem (CID 10637239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).