5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol

C20H16F2O2S — CID 166637498

IUPAC5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol
SMILESOc1cc(OCc2ccc(F)cc2)ccc1SCc1ccc(F)cc1
InChIInChI=1S/C20H16F2O2S/c21-16-5-1-14(2-6-16)12-24-18-9-10-20(19(23)11-18)25-13-15-3-7-17(22)8-4-15/h1-11,23H,12-13H2
InChIKeyQJDPHBGVJRCMJY-UHFFFAOYSA-N
MW358.41 g/mol
LogP5.54
Rot. Bonds6

About 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol

5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol (PubChem CID 166637498) has the molecular formula C20H16F2O2S and a molecular weight of 358.41 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol
PubChem CID166637498
Molecular FormulaC20H16F2O2S
Molecular Weight358.41 g/mol
Exact Mass358.08
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol
SMILESOc1cc(OCc2ccc(F)cc2)ccc1SCc1ccc(F)cc1
InChIInChI=1S/C20H16F2O2S/c21-16-5-1-14(2-6-16)12-24-18-9-10-20(19(23)11-18)25-13-15-3-7-17(22)8-4-15/h1-11,23H,12-13H2
InChIKeyQJDPHBGVJRCMJY-UHFFFAOYSA-N
XLogP5.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.41
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bps-mpe4
CID 14178379
2-(4-Methoxyphenyl)-2,3-dihydro-1,4-benzoxathiine-5,7-diol
CID 10517608
2-(4-Hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-7-ol
CID 11299942
1,4-Benzoxathiin-7-ol, 2,3-dihydro-2-(4-methoxyphenyl)-
CID 11460016
4-(7-Methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol
CID 24863523
3,5-Bis[(4-fluorophenyl)methoxy]phenol
CID 54582426
1-(2,4-Dimethoxyphenyl)sulfanyl-3-(4-phenylphenoxy)propan-2-ol
CID 70684289
1-(4-Benzylphenoxy)-3-(2,4-dimethoxyphenyl)sulfanylpropan-2-ol
CID 70688542
2-[2,5-Difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol
CID 10743276
(Z)-4-((5-(4-(benzyloxy)phenyl)-1,1-difluoropent-2-en-2-yl)thio)phenol
CID 162623293
(R)-4-((5-(4-(benzyloxy)phenyl)-1,1-difluoropent-1-en-3-yl)thio)phenol
CID 162623305
4-Fluoro-2-[(4-methoxyphenyl)methylsulfanyl]-5-propan-2-yloxyphenol
CID 10543835

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol (CID 166637498) is 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol is Oc1cc(OCc2ccc(F)cc2)ccc1SCc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol?
The InChIKey is QJDPHBGVJRCMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2O2S/c21-16-5-1-14(2-6-16)12-24-18-9-10-20(19(23)11-18)25-13-15-3-7-17(22)8-4-15/h1-11,23H,12-13H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol?
5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol has a molecular weight of 358.41 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-[(4-fluorophenyl)methylsulfanyl]phenol is sourced from PubChem (CID 166637498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).