(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol

C15H15FO4S — CID 97243469

IUPAC(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
SMILESCS(=O)(=O)c1cccc(OC[C@H](O)c2ccccc2F)c1
InChIInChI=1S/C15H15FO4S/c1-21(18,19)12-6-4-5-11(9-12)20-10-15(17)13-7-2-3-8-14(13)16/h2-9,15,17H,10H2,1H3/t15-/m0/s1
InChIKeyKNEMTIZSBITERV-HNNXBMFYSA-N
MW310.35 g/mol
LogP2.34
Rot. Bonds5

About (1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol

(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol (PubChem CID 97243469) has the molecular formula C15H15FO4S and a molecular weight of 310.35 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
PubChem CID97243469
Molecular FormulaC15H15FO4S
Molecular Weight310.35 g/mol
Exact Mass310.07
IUPAC Name(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
SMILESCS(=O)(=O)c1cccc(OC[C@H](O)c2ccccc2F)c1
InChIInChI=1S/C15H15FO4S/c1-21(18,19)12-6-4-5-11(9-12)20-10-15(17)13-7-2-3-8-14(13)16/h2-9,15,17H,10H2,1H3/t15-/m0/s1
InChIKeyKNEMTIZSBITERV-HNNXBMFYSA-N
XLogP2.34
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 109416332
2-(3-fluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885745
2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 109414968
N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide
CID 109416737
1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol
CID 109415459
1-(2,2-dimethoxyethoxy)-3-methylsulfonylbenzene
CID 66223828
[2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate
CID 175231524
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
(2R)-1-(3-methylsulfonylphenoxy)-3-phenylmethoxypropan-2-ol
CID 167872482
1-(2-fluorophenyl)-2-pyridin-3-yloxyethanol
CID 117243776
2-methyl-3-(3-methylsulfonylphenoxy)propanethioamide
CID 43807014
1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone
CID 110017843

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol?
The IUPAC name of (1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol (CID 97243469) is (1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol is CS(=O)(=O)c1cccc(OC[C@H](O)c2ccccc2F)c1.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol?
The InChIKey is KNEMTIZSBITERV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15FO4S/c1-21(18,19)12-6-4-5-11(9-12)20-10-15(17)13-7-2-3-8-14(13)16/h2-9,15,17H,10H2,1H3/t15-/m0/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol?
(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol has a molecular weight of 310.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol is sourced from PubChem (CID 97243469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).