1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol

C11H15FO4S — CID 117410057

IUPAC1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol
SMILESCOc1cc(CC(C)O)cc(F)c1S(C)(=O)=O
InChIInChI=1S/C11H15FO4S/c1-7(13)4-8-5-9(12)11(17(3,14)15)10(6-8)16-2/h5-7,13H,4H2,1-3H3
InChIKeyNXBOQAYGNQNCJQ-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.16
Rot. Bonds4

About 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol

1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol (PubChem CID 117410057) has the molecular formula C11H15FO4S and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol
PubChem CID117410057
Molecular FormulaC11H15FO4S
Molecular Weight262.30 g/mol
Exact Mass262.07
IUPAC Name1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol
SMILESCOc1cc(CC(C)O)cc(F)c1S(C)(=O)=O
InChIInChI=1S/C11H15FO4S/c1-7(13)4-8-5-9(12)11(17(3,14)15)10(6-8)16-2/h5-7,13H,4H2,1-3H3
InChIKeyNXBOQAYGNQNCJQ-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-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol
CID 117311648
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 117325737
O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine
CID 117375508
1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117307929
1-(3-chloro-4-fluoro-5-methoxyphenyl)propan-2-ol
CID 117311647
1-(2,3,5-trifluoro-4-methylsulfonylphenyl)propan-2-ol
CID 117424014
3-(3,5-difluoro-4-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117445810
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117445755
2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde
CID 87217406
1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol
CID 117369429
1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol
CID 117410056
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117439986

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol?
The IUPAC name of 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol (CID 117410057) is 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol?
The canonical SMILES for 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol is COc1cc(CC(C)O)cc(F)c1S(C)(=O)=O.
What is the InChIKey of 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol?
The InChIKey is NXBOQAYGNQNCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO4S/c1-7(13)4-8-5-9(12)11(17(3,14)15)10(6-8)16-2/h5-7,13H,4H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol?
1-(3-fluoro-5-methoxy-4-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-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol is sourced from PubChem (CID 117410057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).