4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol

C19H15F2NO2S — CID 66808566

IUPAC4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol
SMILESNc1cc(OCc2cc(F)ccc2F)ccc1Sc1ccc(O)cc1
InChIInChI=1S/C19H15F2NO2S/c20-13-1-7-17(21)12(9-13)11-24-15-4-8-19(18(22)10-15)25-16-5-2-14(23)3-6-16/h1-10,23H,11,22H2
InChIKeyHYXUQFFCYTYGMH-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.98
Rot. Bonds5

About 4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol

4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol (PubChem CID 66808566) has the molecular formula C19H15F2NO2S and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol.

Molecular Properties

Compound Name4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol
PubChem CID66808566
Molecular FormulaC19H15F2NO2S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol
SMILESNc1cc(OCc2cc(F)ccc2F)ccc1Sc1ccc(O)cc1
InChIInChI=1S/C19H15F2NO2S/c20-13-1-7-17(21)12(9-13)11-24-15-4-8-19(18(22)10-15)25-16-5-2-14(23)3-6-16/h1-10,23H,11,22H2
InChIKeyHYXUQFFCYTYGMH-UHFFFAOYSA-N
XLogP4.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol?
The IUPAC name of 4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol (CID 66808566) is 4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol.
What is the SMILES notation for 4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol?
The canonical SMILES for 4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol is Nc1cc(OCc2cc(F)ccc2F)ccc1Sc1ccc(O)cc1.
What is the InChIKey of 4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol?
The InChIKey is HYXUQFFCYTYGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2S/c20-13-1-7-17(21)12(9-13)11-24-15-4-8-19(18(22)10-15)25-16-5-2-14(23)3-6-16/h1-10,23H,11,22H2.
What are the key properties of 4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol?
4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol has a molecular weight of 359.40 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol is sourced from PubChem (CID 66808566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).