(1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol

C12H17FO4S — CID 78932553

IUPAC(1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol
SMILESCCS(=O)(=O)CCOc1cc(F)ccc1[C@H](C)O
InChIInChI=1S/C12H17FO4S/c1-3-18(15,16)7-6-17-12-8-10(13)4-5-11(12)9(2)14/h4-5,8-9,14H,3,6-7H2,1-2H3/t9-/m0/s1
InChIKeyHMYJUCLDRQKDKS-VIFPVBQESA-N
MW276.33 g/mol
LogP1.69
Rot. Bonds6

About (1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol

(1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol (PubChem CID 78932553) has the molecular formula C12H17FO4S and a molecular weight of 276.33 g/mol. Its IUPAC name is (1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol
PubChem CID78932553
Molecular FormulaC12H17FO4S
Molecular Weight276.33 g/mol
Exact Mass276.08
IUPAC Name(1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol
SMILESCCS(=O)(=O)CCOc1cc(F)ccc1[C@H](C)O
InChIInChI=1S/C12H17FO4S/c1-3-18(15,16)7-6-17-12-8-10(13)4-5-11(12)9(2)14/h4-5,8-9,14H,3,6-7H2,1-2H3/t9-/m0/s1
InChIKeyHMYJUCLDRQKDKS-VIFPVBQESA-N
XLogP1.69
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63366184
1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64566512
5-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78932245
(1R)-1-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]ethanol
CID 63366014
(1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863621
1-[4-fluoro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol
CID 63067681
(1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 63366101
(1S)-1-(4-fluoro-2-pent-3-ynoxyphenyl)ethanol
CID 104808272
1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410280
potassium [2-(2-ethylsulfonylethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 106726802

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol (CID 78932553) is (1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol is CCS(=O)(=O)CCOc1cc(F)ccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol?
The InChIKey is HMYJUCLDRQKDKS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17FO4S/c1-3-18(15,16)7-6-17-12-8-10(13)4-5-11(12)9(2)14/h4-5,8-9,14H,3,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol?
(1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol has a molecular weight of 276.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol is sourced from PubChem (CID 78932553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).