4-(2,3-difluoro-6-nitrophenoxy)phenol

C12H7F2NO4 — CID 55086265

IUPAC4-(2,3-difluoro-6-nitrophenoxy)phenol
SMILESO=[N+]([O-])c1ccc(F)c(F)c1Oc1ccc(O)cc1
InChIInChI=1S/C12H7F2NO4/c13-9-5-6-10(15(17)18)12(11(9)14)19-8-3-1-7(16)2-4-8/h1-6,16H
InChIKeyGDHGYSYLGBZXOA-UHFFFAOYSA-N
MW267.19 g/mol
LogP3.37
Rot. Bonds3

About 4-(2,3-difluoro-6-nitrophenoxy)phenol

4-(2,3-difluoro-6-nitrophenoxy)phenol (PubChem CID 55086265) has the molecular formula C12H7F2NO4 and a molecular weight of 267.19 g/mol. Its IUPAC name is 4-(2,3-difluoro-6-nitrophenoxy)phenol.

Molecular Properties

Compound Name4-(2,3-difluoro-6-nitrophenoxy)phenol
PubChem CID55086265
Molecular FormulaC12H7F2NO4
Molecular Weight267.19 g/mol
Exact Mass267.03
IUPAC Name4-(2,3-difluoro-6-nitrophenoxy)phenol
SMILESO=[N+]([O-])c1ccc(F)c(F)c1Oc1ccc(O)cc1
InChIInChI=1S/C12H7F2NO4/c13-9-5-6-10(15(17)18)12(11(9)14)19-8-3-1-7(16)2-4-8/h1-6,16H
InChIKeyGDHGYSYLGBZXOA-UHFFFAOYSA-N
XLogP3.37
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 53.37
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

1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene
CID 118830267
4-(5-fluoro-4-iodo-2-nitrophenoxy)phenol
CID 66100481
3-bromo-1,2-difluoro-4-nitrobenzene
CID 574589
1-bromo-3-(2,3-difluoro-6-nitrophenoxy)propan-2-ol
CID 22247683
3-(2,3-difluoro-6-nitrophenoxy)azetidine
CID 63105342
1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
CID 104831899
4-[(5-fluoro-2-nitrophenyl)methoxy]phenol
CID 43443691
(3-fluoro-2,6-dinitrophenyl) propanoate
CID 174727561
2-(4-chlorophenoxy)-3-nitrobenzamide
CID 141017778
4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenol
CID 144813856
N-[2-nitro-4-(2,3,4,5,6-pentafluorophenoxy)phenyl]acetamide
CID 3094461
3-chloro-2-(4-chlorophenoxy)-N,N-dimethyl-4-nitroaniline
CID 154125212

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluoro-6-nitrophenoxy)phenol?
The IUPAC name of 4-(2,3-difluoro-6-nitrophenoxy)phenol (CID 55086265) is 4-(2,3-difluoro-6-nitrophenoxy)phenol.
What is the SMILES notation for 4-(2,3-difluoro-6-nitrophenoxy)phenol?
The canonical SMILES for 4-(2,3-difluoro-6-nitrophenoxy)phenol is O=[N+]([O-])c1ccc(F)c(F)c1Oc1ccc(O)cc1.
What is the InChIKey of 4-(2,3-difluoro-6-nitrophenoxy)phenol?
The InChIKey is GDHGYSYLGBZXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO4/c13-9-5-6-10(15(17)18)12(11(9)14)19-8-3-1-7(16)2-4-8/h1-6,16H.
What are the key properties of 4-(2,3-difluoro-6-nitrophenoxy)phenol?
4-(2,3-difluoro-6-nitrophenoxy)phenol has a molecular weight of 267.19 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluoro-6-nitrophenoxy)phenol is sourced from PubChem (CID 55086265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).