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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Related Compounds

2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol
CID 86027705
2-[1-[2-(2-hydroxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethanol;2-[1-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethanol
CID 163740877
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852
(2S)-1-[2-[2-(3-fluorophenyl)sulfanyl-4-piperidin-1-ylphenoxy]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 69007640
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol
CID 175765558
2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
CID 155660366
2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol
CID 142536418
2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one
CID 132512444
N-(3-fluorophenyl)-4-(2-hydroxyethoxy)naphthalene-1-carboxamide
CID 11738861
4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene
CID 69009366

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).