2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol

C12H18O4S — CID 65145061

IUPAC2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol
SMILESCOc1ccccc1C(C)(O)CCS(C)(=O)=O
InChIInChI=1S/C12H18O4S/c1-12(13,8-9-17(3,14)15)10-6-4-5-7-11(10)16-2/h4-7,13H,8-9H2,1-3H3
InChIKeyVIDRXIMPWHVSIC-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.34
Rot. Bonds5

About 2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol

2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol (PubChem CID 65145061) has the molecular formula C12H18O4S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol
PubChem CID65145061
Molecular FormulaC12H18O4S
Molecular Weight258.34 g/mol
Exact Mass258.09
IUPAC Name2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol
SMILESCOc1ccccc1C(C)(O)CCS(C)(=O)=O
InChIInChI=1S/C12H18O4S/c1-12(13,8-9-17(3,14)15)10-6-4-5-7-11(10)16-2/h4-7,13H,8-9H2,1-3H3
InChIKeyVIDRXIMPWHVSIC-UHFFFAOYSA-N
XLogP1.34
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol
CID 65145426
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
2-(2-methoxyphenyl)-4-methylpent-4-en-2-ol
CID 71722424
3-hydroxy-3-(2-methoxyphenyl)butanenitrile
CID 79117864
tert-butyl (3S)-3-hydroxy-3-(2-methoxyphenyl)butanoate
CID 125467754
2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002279
2-(2-methoxyphenyl)-1-piperazin-1-ylpropan-2-ol
CID 82297558
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
CID 102236965
2-(2-methoxyphenyl)-2-methylpropane-1-sulfonyl chloride
CID 82303075
1-(2,6-dichlorophenyl)-2-(2-methoxyphenyl)propan-2-ol
CID 65144676

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol?
The IUPAC name of 2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol (CID 65145061) is 2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol?
The canonical SMILES for 2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol is COc1ccccc1C(C)(O)CCS(C)(=O)=O.
What is the InChIKey of 2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol?
The InChIKey is VIDRXIMPWHVSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4S/c1-12(13,8-9-17(3,14)15)10-6-4-5-7-11(10)16-2/h4-7,13H,8-9H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol?
2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol has a molecular weight of 258.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol is sourced from PubChem (CID 65145061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).