[5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol

C11H16O5S — CID 60915794

IUPAC[5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol
SMILESCOc1ccc(OCCS(C)(=O)=O)c(CO)c1
InChIInChI=1S/C11H16O5S/c1-15-10-3-4-11(9(7-10)8-12)16-5-6-17(2,13)14/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyJNNGLJDBSXTUGS-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.61
Rot. Bonds6

About [5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol

[5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol (PubChem CID 60915794) has the molecular formula C11H16O5S and a molecular weight of 260.31 g/mol. Its IUPAC name is [5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol
PubChem CID60915794
Molecular FormulaC11H16O5S
Molecular Weight260.31 g/mol
Exact Mass260.07
IUPAC Name[5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol
SMILESCOc1ccc(OCCS(C)(=O)=O)c(CO)c1
InChIInChI=1S/C11H16O5S/c1-15-10-3-4-11(9(7-10)8-12)16-5-6-17(2,13)14/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyJNNGLJDBSXTUGS-UHFFFAOYSA-N
XLogP0.61
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(bromomethyl)-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 61057805
2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 104707500
3-[2-(hydroxymethyl)-4-methoxyphenoxy]-N,N-dimethylpropanamide
CID 54879094
(2-but-3-ynoxy-5-methoxyphenyl)methanol
CID 43268037
[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol
CID 112590012
[2-[2-(diethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43267964
4-[2-(hydroxymethyl)-4-methoxyphenoxy]butanenitrile
CID 43267979
[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726179
1-[2-(hydroxymethyl)-4-methoxyphenoxy]butan-2-ol
CID 60886437
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43268000
4-methoxy-2-(3-methylsulfonylpropoxy)benzoic acid
CID 63190587
2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene
CID 58551430

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol?
The IUPAC name of [5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol (CID 60915794) is [5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol.
What is the SMILES notation for [5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol?
The canonical SMILES for [5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol is COc1ccc(OCCS(C)(=O)=O)c(CO)c1.
What is the InChIKey of [5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol?
The InChIKey is JNNGLJDBSXTUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5S/c1-15-10-3-4-11(9(7-10)8-12)16-5-6-17(2,13)14/h3-4,7,12H,5-6,8H2,1-2H3.
What are the key properties of [5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol?
[5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol has a molecular weight of 260.31 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol is sourced from PubChem (CID 60915794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).