[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol

C13H10FNO4 — CID 104831942

IUPAC[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol
SMILESO=[N+]([O-])c1cccc(F)c1Oc1ccccc1CO
InChIInChI=1S/C13H10FNO4/c14-10-5-3-6-11(15(17)18)13(10)19-12-7-2-1-4-9(12)8-16/h1-7,16H,8H2
InChIKeyFTRZYIWUXSVKET-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.02
Rot. Bonds4

About [2-(2-fluoro-6-nitrophenoxy)phenyl]methanol

[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol (PubChem CID 104831942) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is [2-(2-fluoro-6-nitrophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol
PubChem CID104831942
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol
SMILESO=[N+]([O-])c1cccc(F)c1Oc1ccccc1CO
InChIInChI=1S/C13H10FNO4/c14-10-5-3-6-11(15(17)18)13(10)19-12-7-2-1-4-9(12)8-16/h1-7,16H,8H2
InChIKeyFTRZYIWUXSVKET-UHFFFAOYSA-N
XLogP3.02
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.02
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

[2-(2-nitrophenoxy)phenyl]methanol
CID 54915252
1-[2-(2-fluoro-6-nitrophenoxy)phenyl]propan-1-one
CID 104831813
2-(2-fluoro-6-nitrophenoxy)benzaldehyde
CID 104831883
[2-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 62304673
[2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol
CID 107713386
(2-nitrophenyl)methanol
CID 11923
[4-[2-(hydroxymethyl)phenoxy]-3-nitrophenyl]methanol
CID 63653967
2-chloro-6-(2-fluoro-6-nitrophenoxy)benzoic acid
CID 104831894
[4-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanol
CID 107717309
(3-fluoro-2-nitrophenyl)methanol
CID 57368636
[2-(3-methoxy-2-nitrophenoxy)phenyl]methanol
CID 107713464
[2-(4-methyl-2-nitrophenoxy)phenyl]methanol
CID 61311271

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-6-nitrophenoxy)phenyl]methanol?
The IUPAC name of [2-(2-fluoro-6-nitrophenoxy)phenyl]methanol (CID 104831942) is [2-(2-fluoro-6-nitrophenoxy)phenyl]methanol.
What is the SMILES notation for [2-(2-fluoro-6-nitrophenoxy)phenyl]methanol?
The canonical SMILES for [2-(2-fluoro-6-nitrophenoxy)phenyl]methanol is O=[N+]([O-])c1cccc(F)c1Oc1ccccc1CO.
What is the InChIKey of [2-(2-fluoro-6-nitrophenoxy)phenyl]methanol?
The InChIKey is FTRZYIWUXSVKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c14-10-5-3-6-11(15(17)18)13(10)19-12-7-2-1-4-9(12)8-16/h1-7,16H,8H2.
What are the key properties of [2-(2-fluoro-6-nitrophenoxy)phenyl]methanol?
[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol has a molecular weight of 263.22 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-6-nitrophenoxy)phenyl]methanol is sourced from PubChem (CID 104831942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).