2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol

C17H17FOS — CID 116517231

IUPAC2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol
SMILESOC(CSc1cccc(F)c1)C1CC1c1ccccc1
InChIInChI=1S/C17H17FOS/c18-13-7-4-8-14(9-13)20-11-17(19)16-10-15(16)12-5-2-1-3-6-12/h1-9,15-17,19H,10-11H2
InChIKeyFKWDOALTWJZBEO-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.08
Rot. Bonds5

About 2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol

2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol (PubChem CID 116517231) has the molecular formula C17H17FOS and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol
PubChem CID116517231
Molecular FormulaC17H17FOS
Molecular Weight288.39 g/mol
Exact Mass288.10
IUPAC Name2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol
SMILESOC(CSc1cccc(F)c1)C1CC1c1ccccc1
InChIInChI=1S/C17H17FOS/c18-13-7-4-8-14(9-13)20-11-17(19)16-10-15(16)12-5-2-1-3-6-12/h1-9,15-17,19H,10-11H2
InChIKeyFKWDOALTWJZBEO-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol
CID 116517234
(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
CID 11769104
2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol
CID 115826460
2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66071238
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 66072891
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66071849
1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 79566382
1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine
CID 82932599
(1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol
CID 102209606
(1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 29079515
(1S)-1-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 124745003

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol (CID 116517231) is 2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol is OC(CSc1cccc(F)c1)C1CC1c1ccccc1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol?
The InChIKey is FKWDOALTWJZBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FOS/c18-13-7-4-8-14(9-13)20-11-17(19)16-10-15(16)12-5-2-1-3-6-12/h1-9,15-17,19H,10-11H2.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol?
2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol has a molecular weight of 288.39 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol is sourced from PubChem (CID 116517231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).