1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol

C11H15FO4S — CID 117410056

IUPAC1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol
SMILESCOc1c(CC(C)O)cc(F)cc1S(C)(=O)=O
InChIInChI=1S/C11H15FO4S/c1-7(13)4-8-5-9(12)6-10(11(8)16-2)17(3,14)15/h5-7,13H,4H2,1-3H3
InChIKeyCLFXHQOLFOFGNL-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.16
Rot. Bonds4

About 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol

1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol (PubChem CID 117410056) has the molecular formula C11H15FO4S and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol
PubChem CID117410056
Molecular FormulaC11H15FO4S
Molecular Weight262.30 g/mol
Exact Mass262.07
IUPAC Name1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol
SMILESCOc1c(CC(C)O)cc(F)cc1S(C)(=O)=O
InChIInChI=1S/C11H15FO4S/c1-7(13)4-8-5-9(12)6-10(11(8)16-2)17(3,14)15/h5-7,13H,4H2,1-3H3
InChIKeyCLFXHQOLFOFGNL-UHFFFAOYSA-N
XLogP1.16
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluoro-3-methylsulfonylphenyl)propan-2-ol
CID 117378627
2-amino-3-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propanoic acid
CID 117470379
3-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2,2-dimethylpropanoic acid
CID 117489578
1-(2,3-dimethoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117438463
1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol
CID 117444120
1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol
CID 117329841
3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117485588
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410057
1-(4-fluoro-2-methoxyphenyl)propan-2-ol
CID 83675442
1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol
CID 117305462
1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol
CID 117329700
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117328885

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol?
The IUPAC name of 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol (CID 117410056) is 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol.
What is the SMILES notation for 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol?
The canonical SMILES for 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol is COc1c(CC(C)O)cc(F)cc1S(C)(=O)=O.
What is the InChIKey of 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol?
The InChIKey is CLFXHQOLFOFGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO4S/c1-7(13)4-8-5-9(12)6-10(11(8)16-2)17(3,14)15/h5-7,13H,4H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol?
1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol has a molecular weight of 262.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol is sourced from PubChem (CID 117410056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).