(1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol

C12H15FO4S — CID 63366066

IUPAC(1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(F)cc1OC1CCS(=O)(=O)C1
InChIInChI=1S/C12H15FO4S/c1-8(14)11-3-2-9(13)6-12(11)17-10-4-5-18(15,16)7-10/h2-3,6,8,10,14H,4-5,7H2,1H3/t8-,10?/m1/s1
InChIKeyJLHZYDOZLHYDBK-HNHGDDPOSA-N
MW274.31 g/mol
LogP1.44
Rot. Bonds3

About (1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol

(1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol (PubChem CID 63366066) has the molecular formula C12H15FO4S and a molecular weight of 274.31 g/mol. Its IUPAC name is (1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol
PubChem CID63366066
Molecular FormulaC12H15FO4S
Molecular Weight274.31 g/mol
Exact Mass274.07
IUPAC Name(1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(F)cc1OC1CCS(=O)(=O)C1
InChIInChI=1S/C12H15FO4S/c1-8(14)11-3-2-9(13)6-12(11)17-10-4-5-18(15,16)7-10/h2-3,6,8,10,14H,4-5,7H2,1H3/t8-,10?/m1/s1
InChIKeyJLHZYDOZLHYDBK-HNHGDDPOSA-N
XLogP1.44
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Hydroxy-3-(3-methylphenoxy)thiolan-1-one
CID 2831194
2-Benzylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 16255450
2-[[4-(2,2,2-Trifluoroethoxy)phenyl]methylsulfonyl]ethanol
CID 71972663
Benzenemethanesulfonic acid, alpha-hydroxy-2-methoxy-, sodium salt (1:1)
CID 23675920
Sbb041404
CID 2831195
3-(4-Methylphenoxy)thiolane-1,1-dione
CID 3113023
[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate
CID 87403011
1-Benzylsulfonyl-3-(4-fluorophenoxy)propan-2-ol
CID 2725854
2-[(2-Phenoxyphenyl)methylsulfonyl]ethanol
CID 71972665
4-(2-Butylsulfonylethyl)-2-cyclopentyloxy-1-fluorobenzene
CID 58218133
3-[(2R)-2-[3-(2,2-difluoroethoxy)phenyl]propyl]sulfonylpropan-1-ol
CID 58218162
5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentan-1-ol
CID 58218188

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol (CID 63366066) is (1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol is C[C@@H](O)c1ccc(F)cc1OC1CCS(=O)(=O)C1.
What is the InChIKey of (1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol?
The InChIKey is JLHZYDOZLHYDBK-HNHGDDPOSA-N. The full InChI is InChI=1S/C12H15FO4S/c1-8(14)11-3-2-9(13)6-12(11)17-10-4-5-18(15,16)7-10/h2-3,6,8,10,14H,4-5,7H2,1H3/t8-,10?/m1/s1.
What are the key properties of (1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol?
(1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol has a molecular weight of 274.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-fluorophenyl]ethanol is sourced from PubChem (CID 63366066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).