2-(2-fluoro-4-nitrophenoxy)phenol

C12H8FNO4 — CID 60869522

IUPAC2-(2-fluoro-4-nitrophenoxy)phenol
SMILESO=[N+]([O-])c1ccc(Oc2ccccc2O)c(F)c1
InChIInChI=1S/C12H8FNO4/c13-9-7-8(14(16)17)5-6-11(9)18-12-4-2-1-3-10(12)15/h1-7,15H
InChIKeyMNCDAVPSWZWSRN-UHFFFAOYSA-N
MW249.20 g/mol
LogP3.23
Rot. Bonds3

About 2-(2-fluoro-4-nitrophenoxy)phenol

2-(2-fluoro-4-nitrophenoxy)phenol (PubChem CID 60869522) has the molecular formula C12H8FNO4 and a molecular weight of 249.20 g/mol. Its IUPAC name is 2-(2-fluoro-4-nitrophenoxy)phenol.

Molecular Properties

Compound Name2-(2-fluoro-4-nitrophenoxy)phenol
PubChem CID60869522
Molecular FormulaC12H8FNO4
Molecular Weight249.20 g/mol
Exact Mass249.04
IUPAC Name2-(2-fluoro-4-nitrophenoxy)phenol
SMILESO=[N+]([O-])c1ccc(Oc2ccccc2O)c(F)c1
InChIInChI=1S/C12H8FNO4/c13-9-7-8(14(16)17)5-6-11(9)18-12-4-2-1-3-10(12)15/h1-7,15H
InChIKeyMNCDAVPSWZWSRN-UHFFFAOYSA-N
XLogP3.23
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 53.23
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-fluoro-6-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 79515985
1-(2-fluorophenoxy)-2,4-dinitrobenzene
CID 9212888
[2-(2-fluorophenoxy)-5-nitrophenyl]methanol
CID 28964127
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 107016673
2-chloro-6-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 61037465
1-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
CID 61038214
1-chloro-2-(chloromethyl)-3-(2-fluoro-4-nitrophenoxy)benzene
CID 63566971
(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370027
(1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine
CID 103959346
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
2-fluoro-1-[4-fluoro-2-(trifluoromethylsulfonyl)phenoxy]-4-nitrobenzene
CID 133283309

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-nitrophenoxy)phenol?
The IUPAC name of 2-(2-fluoro-4-nitrophenoxy)phenol (CID 60869522) is 2-(2-fluoro-4-nitrophenoxy)phenol.
What is the SMILES notation for 2-(2-fluoro-4-nitrophenoxy)phenol?
The canonical SMILES for 2-(2-fluoro-4-nitrophenoxy)phenol is O=[N+]([O-])c1ccc(Oc2ccccc2O)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-nitrophenoxy)phenol?
The InChIKey is MNCDAVPSWZWSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO4/c13-9-7-8(14(16)17)5-6-11(9)18-12-4-2-1-3-10(12)15/h1-7,15H.
What are the key properties of 2-(2-fluoro-4-nitrophenoxy)phenol?
2-(2-fluoro-4-nitrophenoxy)phenol has a molecular weight of 249.20 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-nitrophenoxy)phenol is sourced from PubChem (CID 60869522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).