2-(3,4-dimethoxyphenyl)sulfonylethanol

C10H14O5S — CID 2758479

IUPAC2-(3,4-dimethoxyphenyl)sulfonylethanol
SMILESCOc1ccc(S(=O)(=O)CCO)cc1OC
InChIInChI=1S/C10H14O5S/c1-14-9-4-3-8(7-10(9)15-2)16(12,13)6-5-11/h3-4,7,11H,5-6H2,1-2H3
InChIKeyRDVUSDFEJBFMJF-UHFFFAOYSA-N
MW246.28 g/mol
LogP0.47
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)sulfonylethanol

2-(3,4-dimethoxyphenyl)sulfonylethanol (PubChem CID 2758479) has the molecular formula C10H14O5S and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfonylethanol.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfonylethanol
PubChem CID2758479
Molecular FormulaC10H14O5S
Molecular Weight246.28 g/mol
Exact Mass246.06
IUPAC Name2-(3,4-dimethoxyphenyl)sulfonylethanol
SMILESCOc1ccc(S(=O)(=O)CCO)cc1OC
InChIInChI=1S/C10H14O5S/c1-14-9-4-3-8(7-10(9)15-2)16(12,13)6-5-11/h3-4,7,11H,5-6H2,1-2H3
InChIKeyRDVUSDFEJBFMJF-UHFFFAOYSA-N
XLogP0.47
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfonylethanol?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfonylethanol (CID 2758479) is 2-(3,4-dimethoxyphenyl)sulfonylethanol.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfonylethanol?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfonylethanol is COc1ccc(S(=O)(=O)CCO)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfonylethanol?
The InChIKey is RDVUSDFEJBFMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5S/c1-14-9-4-3-8(7-10(9)15-2)16(12,13)6-5-11/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfonylethanol?
2-(3,4-dimethoxyphenyl)sulfonylethanol has a molecular weight of 246.28 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)sulfonylethanol is sourced from PubChem (CID 2758479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).