1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol

C10H13FO4S — CID 117373186

IUPAC1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol
SMILESCOc1ccc(C(C)O)c(F)c1S(C)(=O)=O
InChIInChI=1S/C10H13FO4S/c1-6(12)7-4-5-8(15-2)10(9(7)11)16(3,13)14/h4-6,12H,1-3H3
InChIKeyVUKCZVRNFUFUKF-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.29
Rot. Bonds3

About 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol

1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol (PubChem CID 117373186) has the molecular formula C10H13FO4S and a molecular weight of 248.27 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol
PubChem CID117373186
Molecular FormulaC10H13FO4S
Molecular Weight248.27 g/mol
Exact Mass248.05
IUPAC Name1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol
SMILESCOc1ccc(C(C)O)c(F)c1S(C)(=O)=O
InChIInChI=1S/C10H13FO4S/c1-6(12)7-4-5-8(15-2)10(9(7)11)16(3,13)14/h4-6,12H,1-3H3
InChIKeyVUKCZVRNFUFUKF-UHFFFAOYSA-N
XLogP1.29
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117468915
1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol
CID 117404543
4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)butanoic acid
CID 117468920
ethyl 2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-2-oxoacetate
CID 117489496
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
1-(2,3-difluoro-6-methoxyphenyl)ethanol
CID 58022414
O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117412248
2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine
CID 117407280
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410057
1-(2,4-difluoro-3-methylphenyl)ethanol
CID 84654323
2-amino-2-(3,6-dimethoxy-2-methylsulfonylphenyl)acetic acid
CID 117467276
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol?
The IUPAC name of 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol (CID 117373186) is 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol?
The canonical SMILES for 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol is COc1ccc(C(C)O)c(F)c1S(C)(=O)=O.
What is the InChIKey of 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol?
The InChIKey is VUKCZVRNFUFUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO4S/c1-6(12)7-4-5-8(15-2)10(9(7)11)16(3,13)14/h4-6,12H,1-3H3.
What are the key properties of 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol?
1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol has a molecular weight of 248.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 117373186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).