1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one

C10H12O4S — CID 117328853

IUPAC1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one
SMILESCC(=O)Cc1cccc(O)c1S(C)(=O)=O
InChIInChI=1S/C10H12O4S/c1-7(11)6-8-4-3-5-9(12)10(8)15(2,13)14/h3-5,12H,6H2,1-2H3
InChIKeyLCCWGQPWLSRZGO-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.93
Rot. Bonds3

About 1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one

1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one (PubChem CID 117328853) has the molecular formula C10H12O4S and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one
PubChem CID117328853
Molecular FormulaC10H12O4S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one
SMILESCC(=O)Cc1cccc(O)c1S(C)(=O)=O
InChIInChI=1S/C10H12O4S/c1-7(11)6-8-4-3-5-9(12)10(8)15(2,13)14/h3-5,12H,6H2,1-2H3
InChIKeyLCCWGQPWLSRZGO-UHFFFAOYSA-N
XLogP0.93
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxy-2-methylsulfonylphenyl)propanal
CID 117328828
3-(aminooxymethyl)-2-methylsulfonylphenol
CID 117309189
(3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride
CID 117458220
3-(3-hydroxy-2-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117399283
3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol
CID 117355624
2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol
CID 117426876
2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid
CID 134620938
1-(3-ethyl-2-iodophenyl)propan-2-one
CID 118824514
1-(3-bromo-2-methylphenyl)propan-2-one
CID 83709858
2-methyl-3-methylsulfonylbenzene-1,4-diol
CID 130033370
3-amino-2-(3-hydroxy-2-methylsulfonylphenyl)propanoic acid
CID 117401487
3-ethyl-2-methylsulfonylbenzamide;hydrochloride
CID 122516953

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one?
The IUPAC name of 1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one (CID 117328853) is 1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one?
The canonical SMILES for 1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one is CC(=O)Cc1cccc(O)c1S(C)(=O)=O.
What is the InChIKey of 1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one?
The InChIKey is LCCWGQPWLSRZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S/c1-7(11)6-8-4-3-5-9(12)10(8)15(2,13)14/h3-5,12H,6H2,1-2H3.
What are the key properties of 1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one?
1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one has a molecular weight of 228.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one is sourced from PubChem (CID 117328853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).