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

C12H8FNO3S — CID 54910892

IUPAC4-(4-fluoro-2-nitrophenyl)sulfanylphenol
SMILESO=[N+]([O-])c1cc(F)ccc1Sc1ccc(O)cc1
InChIInChI=1S/C12H8FNO3S/c13-8-1-6-12(11(7-8)14(16)17)18-10-4-2-9(15)3-5-10/h1-7,15H
InChIKeyIWOGSHNZNHBUGU-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.59
Rot. Bonds3

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

4-(4-fluoro-2-nitrophenyl)sulfanylphenol (PubChem CID 54910892) has the molecular formula C12H8FNO3S and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-(4-fluoro-2-nitrophenyl)sulfanylphenol.

Molecular Properties

Compound Name4-(4-fluoro-2-nitrophenyl)sulfanylphenol
PubChem CID54910892
Molecular FormulaC12H8FNO3S
Molecular Weight265.27 g/mol
Exact Mass265.02
IUPAC Name4-(4-fluoro-2-nitrophenyl)sulfanylphenol
SMILESO=[N+]([O-])c1cc(F)ccc1Sc1ccc(O)cc1
InChIInChI=1S/C12H8FNO3S/c13-8-1-6-12(11(7-8)14(16)17)18-10-4-2-9(15)3-5-10/h1-7,15H
InChIKeyIWOGSHNZNHBUGU-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-hydroxyphenyl)sulfanyl-3-nitrophenol
CID 67040361
4-fluoro-1-[(4-fluoro-2-nitrophenyl)disulfanyl]-2-nitrobenzene
CID 13238249
4-(4-hydroxyphenyl)sulfanyl-3-nitrobenzenesulfonamide
CID 61030717
4-(2,4-difluorophenyl)sulfanylphenol
CID 177164297
2-(4-fluoro-2-nitrophenyl)sulfanyl-5-hydroxy-N,N-dimethylbenzamide
CID 24750202
2-[4-(4-hydroxy-2-nitrophenyl)sulfanylphenyl]acetic acid
CID 91879777
4-(2-fluoro-5-methoxy-4-nitrophenyl)sulfanylphenol
CID 107260586
4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide
CID 9164013
[5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol
CID 63813424
4-[2-nitro-4-(3-nitro-4-pyridin-4-ylsulfanylphenyl)sulfanylphenyl]sulfanylpyridine
CID 145339218
1-(4-hydroxyphenyl)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one
CID 3334638
3-(4-fluoro-2-nitrophenyl)sulfanyl-5-propan-2-yl-1H-1,2,4-triazole
CID 30295976

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-nitrophenyl)sulfanylphenol?
The IUPAC name of 4-(4-fluoro-2-nitrophenyl)sulfanylphenol (CID 54910892) is 4-(4-fluoro-2-nitrophenyl)sulfanylphenol.
What is the SMILES notation for 4-(4-fluoro-2-nitrophenyl)sulfanylphenol?
The canonical SMILES for 4-(4-fluoro-2-nitrophenyl)sulfanylphenol is O=[N+]([O-])c1cc(F)ccc1Sc1ccc(O)cc1.
What is the InChIKey of 4-(4-fluoro-2-nitrophenyl)sulfanylphenol?
The InChIKey is IWOGSHNZNHBUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3S/c13-8-1-6-12(11(7-8)14(16)17)18-10-4-2-9(15)3-5-10/h1-7,15H.
What are the key properties of 4-(4-fluoro-2-nitrophenyl)sulfanylphenol?
4-(4-fluoro-2-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-(4-fluoro-2-nitrophenyl)sulfanylphenol is sourced from PubChem (CID 54910892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).