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

C11H15FO4S — CID 117410038

IUPAC2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol
SMILESCOc1c(C(C)(C)O)ccc(S(C)(=O)=O)c1F
InChIInChI=1S/C11H15FO4S/c1-11(2,13)7-5-6-8(17(4,14)15)9(12)10(7)16-3/h5-6,13H,1-4H3
InChIKeyXIQRPCVLZXBICB-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.47
Rot. Bonds3

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

2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol (PubChem CID 117410038) has the molecular formula C11H15FO4S and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol
PubChem CID117410038
Molecular FormulaC11H15FO4S
Molecular Weight262.30 g/mol
Exact Mass262.07
IUPAC Name2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol
SMILESCOc1c(C(C)(C)O)ccc(S(C)(=O)=O)c1F
InChIInChI=1S/C11H15FO4S/c1-11(2,13)7-5-6-8(17(4,14)15)9(12)10(7)16-3/h5-6,13H,1-4H3
InChIKeyXIQRPCVLZXBICB-UHFFFAOYSA-N
XLogP1.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol
CID 84711006
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine
CID 117407315
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
CID 117370209
3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol
CID 84669345
2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide
CID 84711385
2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117358289
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol
CID 117113957
2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117362849
2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane
CID 178095576
5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
CID 117461608
2,4-difluoro-3-methoxybenzenesulfonyl chloride
CID 84703410
2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 117289253

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol?
The IUPAC name of 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol (CID 117410038) is 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol.
What is the SMILES notation for 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol?
The canonical SMILES for 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol is COc1c(C(C)(C)O)ccc(S(C)(=O)=O)c1F.
What is the InChIKey of 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol?
The InChIKey is XIQRPCVLZXBICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO4S/c1-11(2,13)7-5-6-8(17(4,14)15)9(12)10(7)16-3/h5-6,13H,1-4H3.
What are the key properties of 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol?
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol has a molecular weight of 262.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol is sourced from PubChem (CID 117410038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).