4-(2-fluoro-4-nitrophenyl)sulfanylphenol

C12H8FNO3S — CID 54911232

IUPAC4-(2-fluoro-4-nitrophenyl)sulfanylphenol
SMILESO=[N+]([O-])c1ccc(Sc2ccc(O)cc2)c(F)c1
InChIInChI=1S/C12H8FNO3S/c13-11-7-8(14(16)17)1-6-12(11)18-10-4-2-9(15)3-5-10/h1-7,15H
InChIKeyZEWWLXXUWCXUJV-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.59
Rot. Bonds3

About 4-(2-fluoro-4-nitrophenyl)sulfanylphenol

4-(2-fluoro-4-nitrophenyl)sulfanylphenol (PubChem CID 54911232) has the molecular formula C12H8FNO3S and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-(2-fluoro-4-nitrophenyl)sulfanylphenol.

Molecular Properties

Compound Name4-(2-fluoro-4-nitrophenyl)sulfanylphenol
PubChem CID54911232
Molecular FormulaC12H8FNO3S
Molecular Weight265.27 g/mol
Exact Mass265.02
IUPAC Name4-(2-fluoro-4-nitrophenyl)sulfanylphenol
SMILESO=[N+]([O-])c1ccc(Sc2ccc(O)cc2)c(F)c1
InChIInChI=1S/C12H8FNO3S/c13-11-7-8(14(16)17)1-6-12(11)18-10-4-2-9(15)3-5-10/h1-7,15H
InChIKeyZEWWLXXUWCXUJV-UHFFFAOYSA-N
XLogP3.59
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-((4-Aminophenyl)sulfonyl)phenol
CID 117686
2-Nitro-5-(phenylsulfonyl)phenol
CID 2799682
4-(2-Nitrophenyl)sulfanylphenol
CID 21430272
2-(4-Nitrophenyl)sulfanylbenzene-1,4-diol
CID 125483637
2-Nitro-5-phenylsulfanylphenol
CID 2799679
4-(4-Methoxy-phenylsulfanyl)-nitrobenzene
CID 12692632
Phenol, 4-[(4-nitrophenyl)sulfonyl]-
CID 3636916
4-[(4-Nitrophenyl)sulfanyl]phenol
CID 12338019
2-Nitro-4-phenylsulfonylphenol
CID 15933344
Phenol, 4-[(4-aminophenyl)thio]-
CID 22026416
4-(2-Nitro-4-trifluoromethylphenylthio)phenol
CID 13094107
1-Nitro-4-[4-(trifluoromethoxy)phenyl]sulfanylbenzene
CID 58007707

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-nitrophenyl)sulfanylphenol?
The IUPAC name of 4-(2-fluoro-4-nitrophenyl)sulfanylphenol (CID 54911232) is 4-(2-fluoro-4-nitrophenyl)sulfanylphenol.
What is the SMILES notation for 4-(2-fluoro-4-nitrophenyl)sulfanylphenol?
The canonical SMILES for 4-(2-fluoro-4-nitrophenyl)sulfanylphenol is O=[N+]([O-])c1ccc(Sc2ccc(O)cc2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-nitrophenyl)sulfanylphenol?
The InChIKey is ZEWWLXXUWCXUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3S/c13-11-7-8(14(16)17)1-6-12(11)18-10-4-2-9(15)3-5-10/h1-7,15H.
What are the key properties of 4-(2-fluoro-4-nitrophenyl)sulfanylphenol?
4-(2-fluoro-4-nitrophenyl)sulfanylphenol has a molecular weight of 265.27 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-nitrophenyl)sulfanylphenol is sourced from PubChem (CID 54911232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).