2-methoxy-1-(3-methylsulfonylphenyl)ethanol

C10H14O4S — CID 115819101

IUPAC2-methoxy-1-(3-methylsulfonylphenyl)ethanol
SMILESCOCC(O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C10H14O4S/c1-14-7-10(11)8-4-3-5-9(6-8)15(2,12)13/h3-6,10-11H,7H2,1-2H3
InChIKeyQKVIMNMYILHHJV-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.77
Rot. Bonds4

About 2-methoxy-1-(3-methylsulfonylphenyl)ethanol

2-methoxy-1-(3-methylsulfonylphenyl)ethanol (PubChem CID 115819101) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-methoxy-1-(3-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-methoxy-1-(3-methylsulfonylphenyl)ethanol
PubChem CID115819101
Molecular FormulaC10H14O4S
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name2-methoxy-1-(3-methylsulfonylphenyl)ethanol
SMILESCOCC(O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C10H14O4S/c1-14-7-10(11)8-4-3-5-9(6-8)15(2,12)13/h3-6,10-11H,7H2,1-2H3
InChIKeyQKVIMNMYILHHJV-UHFFFAOYSA-N
XLogP0.77
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(3-methylsulfonylphenyl)ethanamine
CID 112693329
2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 105008924
1-(3-methylsulfonylphenyl)-2-phenylethanol
CID 114976498
1-(3-methylsulfonylphenyl)heptan-1-ol
CID 115783497
1-(3-methylsulfonylphenyl)nonan-1-ol
CID 115784026
3-methyl-1-(3-methylsulfonylphenyl)hexan-1-ol
CID 115789020
3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide
CID 126815984
benzene;2-methoxy-1-phenylethanol
CID 174622919
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
4-methoxy-N,2-dimethyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 105044611
1-(difluoromethyl)-3-methylsulfonylbenzene
CID 154791321
[acetyloxy-(3-methylsulfonylphenyl)methyl] acetate
CID 121008385

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-methoxy-1-(3-methylsulfonylphenyl)ethanol (CID 115819101) is 2-methoxy-1-(3-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-methoxy-1-(3-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-methoxy-1-(3-methylsulfonylphenyl)ethanol is COCC(O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2-methoxy-1-(3-methylsulfonylphenyl)ethanol?
The InChIKey is QKVIMNMYILHHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S/c1-14-7-10(11)8-4-3-5-9(6-8)15(2,12)13/h3-6,10-11H,7H2,1-2H3.
What are the key properties of 2-methoxy-1-(3-methylsulfonylphenyl)ethanol?
2-methoxy-1-(3-methylsulfonylphenyl)ethanol has a molecular weight of 230.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 115819101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).