2-[2-(3-fluorophenyl)sulfanyl-4-phenylphenoxy]ethanol

C20H17FO2S — CID 69006550

IUPAC2-[2-(3-fluorophenyl)sulfanyl-4-phenylphenoxy]ethanol
SMILESOCCOc1ccc(-c2ccccc2)cc1Sc1cccc(F)c1
InChIInChI=1S/C20H17FO2S/c21-17-7-4-8-18(14-17)24-20-13-16(15-5-2-1-3-6-15)9-10-19(20)23-12-11-22/h1-10,13-14,22H,11-12H2
InChIKeyCRGXOVMFBMOOEV-UHFFFAOYSA-N
MW340.42 g/mol
LogP5.01
Rot. Bonds6

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

2-[2-(3-fluorophenyl)sulfanyl-4-phenylphenoxy]ethanol (PubChem CID 69006550) has the molecular formula C20H17FO2S and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)sulfanyl-4-phenylphenoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)sulfanyl-4-phenylphenoxy]ethanol
PubChem CID69006550
Molecular FormulaC20H17FO2S
Molecular Weight340.42 g/mol
Exact Mass340.09
IUPAC Name2-[2-(3-fluorophenyl)sulfanyl-4-phenylphenoxy]ethanol
SMILESOCCOc1ccc(-c2ccccc2)cc1Sc1cccc(F)c1
InChIInChI=1S/C20H17FO2S/c21-17-7-4-8-18(14-17)24-20-13-16(15-5-2-1-3-6-15)9-10-19(20)23-12-11-22/h1-10,13-14,22H,11-12H2
InChIKeyCRGXOVMFBMOOEV-UHFFFAOYSA-N
XLogP5.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)sulfanyl-4-phenylphenoxy]ethanol?
The IUPAC name of 2-[2-(3-fluorophenyl)sulfanyl-4-phenylphenoxy]ethanol (CID 69006550) is 2-[2-(3-fluorophenyl)sulfanyl-4-phenylphenoxy]ethanol.
What is the SMILES notation for 2-[2-(3-fluorophenyl)sulfanyl-4-phenylphenoxy]ethanol?
The canonical SMILES for 2-[2-(3-fluorophenyl)sulfanyl-4-phenylphenoxy]ethanol is OCCOc1ccc(-c2ccccc2)cc1Sc1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)sulfanyl-4-phenylphenoxy]ethanol?
The InChIKey is CRGXOVMFBMOOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO2S/c21-17-7-4-8-18(14-17)24-20-13-16(15-5-2-1-3-6-15)9-10-19(20)23-12-11-22/h1-10,13-14,22H,11-12H2.
What are the key properties of 2-[2-(3-fluorophenyl)sulfanyl-4-phenylphenoxy]ethanol?
2-[2-(3-fluorophenyl)sulfanyl-4-phenylphenoxy]ethanol has a molecular weight of 340.42 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)sulfanyl-4-phenylphenoxy]ethanol is sourced from PubChem (CID 69006550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).