1-[3-(4-fluorophenyl)sulfanyl-2-methoxyphenyl]ethanol

C15H15FO2S — CID 70570919

IUPAC1-[3-(4-fluorophenyl)sulfanyl-2-methoxyphenyl]ethanol
SMILESCOc1c(Sc2ccc(F)cc2)cccc1C(C)O
InChIInChI=1S/C15H15FO2S/c1-10(17)13-4-3-5-14(15(13)18-2)19-12-8-6-11(16)7-9-12/h3-10,17H,1-2H3
InChIKeyNUIKQOAKEVVSOB-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.04
Rot. Bonds4

About 1-[3-(4-fluorophenyl)sulfanyl-2-methoxyphenyl]ethanol

1-[3-(4-fluorophenyl)sulfanyl-2-methoxyphenyl]ethanol (PubChem CID 70570919) has the molecular formula C15H15FO2S and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)sulfanyl-2-methoxyphenyl]ethanol.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)sulfanyl-2-methoxyphenyl]ethanol
PubChem CID70570919
Molecular FormulaC15H15FO2S
Molecular Weight278.35 g/mol
Exact Mass278.08
IUPAC Name1-[3-(4-fluorophenyl)sulfanyl-2-methoxyphenyl]ethanol
SMILESCOc1c(Sc2ccc(F)cc2)cccc1C(C)O
InChIInChI=1S/C15H15FO2S/c1-10(17)13-4-3-5-14(15(13)18-2)19-12-8-6-11(16)7-9-12/h3-10,17H,1-2H3
InChIKeyNUIKQOAKEVVSOB-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)sulfanyl-2-methoxyphenyl]ethanol?
The IUPAC name of 1-[3-(4-fluorophenyl)sulfanyl-2-methoxyphenyl]ethanol (CID 70570919) is 1-[3-(4-fluorophenyl)sulfanyl-2-methoxyphenyl]ethanol.
What is the SMILES notation for 1-[3-(4-fluorophenyl)sulfanyl-2-methoxyphenyl]ethanol?
The canonical SMILES for 1-[3-(4-fluorophenyl)sulfanyl-2-methoxyphenyl]ethanol is COc1c(Sc2ccc(F)cc2)cccc1C(C)O.
What is the InChIKey of 1-[3-(4-fluorophenyl)sulfanyl-2-methoxyphenyl]ethanol?
The InChIKey is NUIKQOAKEVVSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2S/c1-10(17)13-4-3-5-14(15(13)18-2)19-12-8-6-11(16)7-9-12/h3-10,17H,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)sulfanyl-2-methoxyphenyl]ethanol?
1-[3-(4-fluorophenyl)sulfanyl-2-methoxyphenyl]ethanol has a molecular weight of 278.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)sulfanyl-2-methoxyphenyl]ethanol is sourced from PubChem (CID 70570919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).