2-(2-hydroxypropyl)-5-methylsulfonylphenol

C10H14O4S — CID 117332645

IUPAC2-(2-hydroxypropyl)-5-methylsulfonylphenol
SMILESCC(O)Cc1ccc(S(C)(=O)=O)cc1O
InChIInChI=1S/C10H14O4S/c1-7(11)5-8-3-4-9(6-10(8)12)15(2,13)14/h3-4,6-7,11-12H,5H2,1-2H3
InChIKeyVHDAKOQDDFPVSD-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.72
Rot. Bonds3

About 2-(2-hydroxypropyl)-5-methylsulfonylphenol

2-(2-hydroxypropyl)-5-methylsulfonylphenol (PubChem CID 117332645) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-5-methylsulfonylphenol.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-5-methylsulfonylphenol
PubChem CID117332645
Molecular FormulaC10H14O4S
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name2-(2-hydroxypropyl)-5-methylsulfonylphenol
SMILESCC(O)Cc1ccc(S(C)(=O)=O)cc1O
InChIInChI=1S/C10H14O4S/c1-7(11)5-8-3-4-9(6-10(8)12)15(2,13)14/h3-4,6-7,11-12H,5H2,1-2H3
InChIKeyVHDAKOQDDFPVSD-UHFFFAOYSA-N
XLogP0.72
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxypropyl)-2,3-dimethylphenol
CID 117278408
2-methyl-3-(2-methyl-4-methylsulfonylphenyl)propanoic acid
CID 117394358
1-(2,3,5-trifluoro-4-methylsulfonylphenyl)propan-2-ol
CID 117424014
1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol
CID 117378627
2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
CID 83058758
1-(2,3-dimethoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117438463
1-(2-chloro-3-methylbutyl)-2,4-bis(methylsulfonyl)benzene
CID 63203249
2-methyl-3-(2-methyl-5-methylsulfonylphenyl)propanoic acid
CID 117394355
CID 172851102
CID 172851102
2-hydroxy-4-methylsulfonylbenzamide
CID 90873956
(2-iodo-4-methylsulfonylphenyl)methanol
CID 168954797
5-methylsulfonyl-2-phenylphenol
CID 170991477

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-5-methylsulfonylphenol?
The IUPAC name of 2-(2-hydroxypropyl)-5-methylsulfonylphenol (CID 117332645) is 2-(2-hydroxypropyl)-5-methylsulfonylphenol.
What is the SMILES notation for 2-(2-hydroxypropyl)-5-methylsulfonylphenol?
The canonical SMILES for 2-(2-hydroxypropyl)-5-methylsulfonylphenol is CC(O)Cc1ccc(S(C)(=O)=O)cc1O.
What is the InChIKey of 2-(2-hydroxypropyl)-5-methylsulfonylphenol?
The InChIKey is VHDAKOQDDFPVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S/c1-7(11)5-8-3-4-9(6-10(8)12)15(2,13)14/h3-4,6-7,11-12H,5H2,1-2H3.
What are the key properties of 2-(2-hydroxypropyl)-5-methylsulfonylphenol?
2-(2-hydroxypropyl)-5-methylsulfonylphenol has a molecular weight of 230.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-5-methylsulfonylphenol is sourced from PubChem (CID 117332645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).