2-[3-(pentafluoro-λ6-sulfanyl)oxyphenoxy]phenol

C12H9F5O3S — CID 177288084

IUPAC2-[3-(pentafluoro-λ6-sulfanyl)oxyphenoxy]phenol
SMILESOc1ccccc1Oc1cccc(OS(F)(F)(F)(F)F)c1
InChIInChI=1S/C12H9F5O3S/c13-21(14,15,16,17)20-10-5-3-4-9(8-10)19-12-7-2-1-6-11(12)18/h1-8,18H
InChIKeyUJACTMAFENEJEN-UHFFFAOYSA-N
MW328.26 g/mol
LogP5.78
Rot. Bonds4

About 2-[3-(pentafluoro-λ6-sulfanyl)oxyphenoxy]phenol

2-[3-(pentafluoro-λ6-sulfanyl)oxyphenoxy]phenol (PubChem CID 177288084) has the molecular formula C12H9F5O3S and a molecular weight of 328.26 g/mol. Its IUPAC name is 2-[3-(pentafluoro-λ6-sulfanyl)oxyphenoxy]phenol.

Molecular Properties

Compound Name2-[3-(pentafluoro-λ6-sulfanyl)oxyphenoxy]phenol
PubChem CID177288084
Molecular FormulaC12H9F5O3S
Molecular Weight328.26 g/mol
Exact Mass328.02
IUPAC Name2-[3-(pentafluoro-λ6-sulfanyl)oxyphenoxy]phenol
SMILESOc1ccccc1Oc1cccc(OS(F)(F)(F)(F)F)c1
InChIInChI=1S/C12H9F5O3S/c13-21(14,15,16,17)20-10-5-3-4-9(8-10)19-12-7-2-1-6-11(12)18/h1-8,18H
InChIKeyUJACTMAFENEJEN-UHFFFAOYSA-N
XLogP5.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.26
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)phenol
CID 22051950
2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol
CID 175775609
3-phenoxybenzene-1,2-diol;4-phenoxybenzene-1,3-diol
CID 70468800
2-(2-hydroxyphenoxy)phenol;phosphane
CID 174791785
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576
2-[2,3-bis(2-hydroxyphenoxy)phenoxy]phenol
CID 139940614
2-(4-methoxyphenoxy)phenol
CID 54145402
2-(4-iodophenoxy)phenol
CID 90870706
2-[4-(trifluoromethoxy)phenoxy]phenol
CID 19755907
4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol
CID 54042030
4,6-diphenoxybenzene-1,3-diol
CID 90212443
2-fluoro-4-(2-fluorophenoxy)phenol
CID 165357625

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pentafluoro-λ6-sulfanyl)oxyphenoxy]phenol?
The IUPAC name of 2-[3-(pentafluoro-λ6-sulfanyl)oxyphenoxy]phenol (CID 177288084) is 2-[3-(pentafluoro-λ6-sulfanyl)oxyphenoxy]phenol.
What is the SMILES notation for 2-[3-(pentafluoro-λ6-sulfanyl)oxyphenoxy]phenol?
The canonical SMILES for 2-[3-(pentafluoro-λ6-sulfanyl)oxyphenoxy]phenol is Oc1ccccc1Oc1cccc(OS(F)(F)(F)(F)F)c1.
What is the InChIKey of 2-[3-(pentafluoro-λ6-sulfanyl)oxyphenoxy]phenol?
The InChIKey is UJACTMAFENEJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F5O3S/c13-21(14,15,16,17)20-10-5-3-4-9(8-10)19-12-7-2-1-6-11(12)18/h1-8,18H.
What are the key properties of 2-[3-(pentafluoro-λ6-sulfanyl)oxyphenoxy]phenol?
2-[3-(pentafluoro-λ6-sulfanyl)oxyphenoxy]phenol has a molecular weight of 328.26 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pentafluoro-λ6-sulfanyl)oxyphenoxy]phenol is sourced from PubChem (CID 177288084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).