2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol

C11H16O4S — CID 60878036

IUPAC2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol
SMILESCC(C)(O)COc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C11H16O4S/c1-11(2,12)8-15-9-5-4-6-10(7-9)16(3,13)14/h4-7,12H,8H2,1-3H3
InChIKeyYCYFSARSBWDZND-UHFFFAOYSA-N
MW244.31 g/mol
LogP1.24
Rot. Bonds4

About 2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol

2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol (PubChem CID 60878036) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol
PubChem CID60878036
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol
SMILESCC(C)(O)COc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C11H16O4S/c1-11(2,12)8-15-9-5-4-6-10(7-9)16(3,13)14/h4-7,12H,8H2,1-3H3
InChIKeyYCYFSARSBWDZND-UHFFFAOYSA-N
XLogP1.24
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-methyl-4-(3-methylsulfonylphenoxy)butan-2-ol
CID 64815262
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
4-(3-methylsulfonylphenoxy)butan-1-ol
CID 43612928
6-(3-methylsulfonylphenoxy)hexan-1-ol
CID 107705404
2-amino-2-cyclopropyl-3-(3-methylsulfonylphenoxy)propanoic acid
CID 63920220
1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540
3-(3-methylsulfonylphenoxy)propanamide
CID 55149798
1-(2,2-dimethoxyethoxy)-3-methylsulfonylbenzene
CID 66223828
1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
CID 52619425
[2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate
CID 175231524
2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol
CID 167144940
1-cyclopropyl-2-(3-methylsulfonylphenoxy)ethanone
CID 63904019

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol?
The IUPAC name of 2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol (CID 60878036) is 2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol?
The canonical SMILES for 2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol is CC(C)(O)COc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol?
The InChIKey is YCYFSARSBWDZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4S/c1-11(2,12)8-15-9-5-4-6-10(7-9)16(3,13)14/h4-7,12H,8H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol?
2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol has a molecular weight of 244.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol is sourced from PubChem (CID 60878036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).