[5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol

C13H10FNO3S — CID 63813424

IUPAC[5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol
SMILESO=[N+]([O-])c1ccc(Sc2ccc(F)cc2CO)cc1
InChIInChI=1S/C13H10FNO3S/c14-10-1-6-13(9(7-10)8-16)19-12-4-2-11(3-5-12)15(17)18/h1-7,16H,8H2
InChIKeyZOOZZYUSMMEVNO-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.38
Rot. Bonds4

About [5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol

[5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol (PubChem CID 63813424) has the molecular formula C13H10FNO3S and a molecular weight of 279.29 g/mol. Its IUPAC name is [5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol
PubChem CID63813424
Molecular FormulaC13H10FNO3S
Molecular Weight279.29 g/mol
Exact Mass279.04
IUPAC Name[5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol
SMILESO=[N+]([O-])c1ccc(Sc2ccc(F)cc2CO)cc1
InChIInChI=1S/C13H10FNO3S/c14-10-1-6-13(9(7-10)8-16)19-12-4-2-11(3-5-12)15(17)18/h1-7,16H,8H2
InChIKeyZOOZZYUSMMEVNO-UHFFFAOYSA-N
XLogP3.38
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.38
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-nitrophenyl)sulfanylphenyl]methanol
CID 63835646
4-(4-fluoro-2-nitrophenyl)sulfanylphenol
CID 54910892
1-nitro-4-(4-nitrophenyl)sulfanylbenzene
CID 14655
2-fluoro-1-(4-methylphenyl)sulfanyl-4-nitrobenzene
CID 132550029
1-(2,5-difluorophenyl)-3-[2-(4-nitrophenyl)sulfanylphenyl]urea
CID 18431163
2-[3-methyl-4-(4-nitrophenyl)sulfanylphenyl]acetic acid
CID 91879174
[2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 61030555
2-[5-nitro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid
CID 826760
4-[[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methylamino]-2-(hydroxymethyl)phenol
CID 69010523
2-[2-(4-methoxyphenyl)sulfanyl-5-nitrophenyl]acetic acid
CID 91878908
[2-(1H-imidazol-2-ylsulfanyl)-5-nitrophenyl]methanol
CID 107783436
3-fluoro-N'-hydroxy-4-(4-nitrophenyl)sulfanylbenzenecarboximidamide
CID 43658551

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol?
The IUPAC name of [5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol (CID 63813424) is [5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol.
What is the SMILES notation for [5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol?
The canonical SMILES for [5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol is O=[N+]([O-])c1ccc(Sc2ccc(F)cc2CO)cc1.
What is the InChIKey of [5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol?
The InChIKey is ZOOZZYUSMMEVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3S/c14-10-1-6-13(9(7-10)8-16)19-12-4-2-11(3-5-12)15(17)18/h1-7,16H,8H2.
What are the key properties of [5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol?
[5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol has a molecular weight of 279.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]methanol is sourced from PubChem (CID 63813424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).