(1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol

C15H15FO4S — CID 63374650

IUPAC(1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)c(F)c1
InChIInChI=1S/C15H15FO4S/c1-10(17)11-3-8-15(14(16)9-11)20-12-4-6-13(7-5-12)21(2,18)19/h3-10,17H,1-2H3/t10-/m1/s1
InChIKeyABNFIGUYDDBJOL-SNVBAGLBSA-N
MW310.35 g/mol
LogP3.07
Rot. Bonds4

About (1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol

(1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol (PubChem CID 63374650) has the molecular formula C15H15FO4S and a molecular weight of 310.35 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol
PubChem CID63374650
Molecular FormulaC15H15FO4S
Molecular Weight310.35 g/mol
Exact Mass310.07
IUPAC Name(1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)c(F)c1
InChIInChI=1S/C15H15FO4S/c1-10(17)11-3-8-15(14(16)9-11)20-12-4-6-13(7-5-12)21(2,18)19/h3-10,17H,1-2H3/t10-/m1/s1
InChIKeyABNFIGUYDDBJOL-SNVBAGLBSA-N
XLogP3.07
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol
CID 78944719
(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol
CID 107665857
3-fluoro-4-(4-methylsulfonylphenoxy)aniline
CID 43806836
4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 78941631
(1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
CID 78951660
(1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol
CID 107169699
(1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 63372547
(1R)-1-[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78944838
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 107724988
(1R)-1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethanol
CID 78941573
ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064
(1R)-1-[4-(3-bromophenoxy)-3-fluorophenyl]ethanol
CID 78941612

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol (CID 63374650) is (1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol is C[C@@H](O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)c(F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol?
The InChIKey is ABNFIGUYDDBJOL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15FO4S/c1-10(17)11-3-8-15(14(16)9-11)20-12-4-6-13(7-5-12)21(2,18)19/h3-10,17H,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol?
(1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol has a molecular weight of 310.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol is sourced from PubChem (CID 63374650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).