1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol

C11H16O5S — CID 117404933

IUPAC1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol
SMILESCOc1cc(C(C)O)c(OC)c(S(C)(=O)=O)c1
InChIInChI=1S/C11H16O5S/c1-7(12)9-5-8(15-2)6-10(11(9)16-3)17(4,13)14/h5-7,12H,1-4H3
InChIKeyXLGKVFORAGGLEU-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.16
Rot. Bonds4

About 1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol

1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol (PubChem CID 117404933) has the molecular formula C11H16O5S and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol
PubChem CID117404933
Molecular FormulaC11H16O5S
Molecular Weight260.31 g/mol
Exact Mass260.07
IUPAC Name1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol
SMILESCOc1cc(C(C)O)c(OC)c(S(C)(=O)=O)c1
InChIInChI=1S/C11H16O5S/c1-7(12)9-5-8(15-2)6-10(11(9)16-3)17(4,13)14/h5-7,12H,1-4H3
InChIKeyXLGKVFORAGGLEU-UHFFFAOYSA-N
XLogP1.16
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxy-3-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117468875
2-(2,5-dimethoxy-3-methylsulfonylphenyl)propanoic acid
CID 117465732
3-amino-3-(2,5-dimethoxy-3-methylsulfonylphenyl)propanoic acid
CID 117488381
1-[5-[3,5-bis(1-hydroxyethyl)-4-methoxyphenoxy]-3-(1-hydroxyethyl)-2-methoxyphenyl]ethanol
CID 122629520
N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine
CID 117407158
1-(3-bromo-5-methoxy-2-methylphenyl)ethanol
CID 84704874
1-(4,5-dimethyl-2-methylsulfonylphenyl)ethanol
CID 117329200
1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol
CID 117444120
1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine
CID 117482413
1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol
CID 117410056
1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol
CID 117362805

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol?
The IUPAC name of 1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol (CID 117404933) is 1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol?
The canonical SMILES for 1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol is COc1cc(C(C)O)c(OC)c(S(C)(=O)=O)c1.
What is the InChIKey of 1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol?
The InChIKey is XLGKVFORAGGLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5S/c1-7(12)9-5-8(15-2)6-10(11(9)16-3)17(4,13)14/h5-7,12H,1-4H3.
What are the key properties of 1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol?
1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol has a molecular weight of 260.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 117404933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).