2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol

C11H16O4S — CID 117362849

IUPAC2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol
SMILESCOc1cc(C(C)(C)O)ccc1S(C)(=O)=O
InChIInChI=1S/C11H16O4S/c1-11(2,12)8-5-6-10(16(4,13)14)9(7-8)15-3/h5-7,12H,1-4H3
InChIKeyDNPNOISOMNPHNE-UHFFFAOYSA-N
MW244.31 g/mol
LogP1.33
Rot. Bonds3

About 2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol

2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol (PubChem CID 117362849) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol
PubChem CID117362849
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol
SMILESCOc1cc(C(C)(C)O)ccc1S(C)(=O)=O
InChIInChI=1S/C11H16O4S/c1-11(2,12)8-5-6-10(16(4,13)14)9(7-8)15-3/h5-7,12H,1-4H3
InChIKeyDNPNOISOMNPHNE-UHFFFAOYSA-N
XLogP1.33
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-methyl-1-methylsulfonylbenzene
CID 23546847
ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol
CID 145081687
(3-methoxy-4-methylsulfonylphenyl)-trimethylstannane
CID 68519082
2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 58551068
4-isocyanato-2-methoxy-1-methylsulfonylbenzene
CID 87532233
N-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 167358991
2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol
CID 117303270
2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol
CID 117037282
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide
CID 110441258
amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol
CID 116939710
2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol
CID 105425091

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol?
The IUPAC name of 2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol (CID 117362849) is 2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol.
What is the SMILES notation for 2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol?
The canonical SMILES for 2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol is COc1cc(C(C)(C)O)ccc1S(C)(=O)=O.
What is the InChIKey of 2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol?
The InChIKey is DNPNOISOMNPHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4S/c1-11(2,12)8-5-6-10(16(4,13)14)9(7-8)15-3/h5-7,12H,1-4H3.
What are the key properties of 2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol?
2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol has a molecular weight of 244.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol is sourced from PubChem (CID 117362849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).