4-fluoro-2-methoxy-6-nitrophenol

C7H6FNO4 — CID 134392027

IUPAC4-fluoro-2-methoxy-6-nitrophenol
SMILESCOc1cc(F)cc([N+](=O)[O-])c1O
InChIInChI=1S/C7H6FNO4/c1-13-6-3-4(8)2-5(7(6)10)9(11)12/h2-3,10H,1H3
InChIKeyGHCUDELWKVFNCK-UHFFFAOYSA-N
MW187.13 g/mol
LogP1.45
Rot. Bonds2

About 4-fluoro-2-methoxy-6-nitrophenol

4-fluoro-2-methoxy-6-nitrophenol (PubChem CID 134392027) has the molecular formula C7H6FNO4 and a molecular weight of 187.13 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-6-nitrophenol.

Molecular Properties

Compound Name4-fluoro-2-methoxy-6-nitrophenol
PubChem CID134392027
Molecular FormulaC7H6FNO4
Molecular Weight187.13 g/mol
Exact Mass187.03
IUPAC Name4-fluoro-2-methoxy-6-nitrophenol
SMILESCOc1cc(F)cc([N+](=O)[O-])c1O
InChIInChI=1S/C7H6FNO4/c1-13-6-3-4(8)2-5(7(6)10)9(11)12/h2-3,10H,1H3
InChIKeyGHCUDELWKVFNCK-UHFFFAOYSA-N
XLogP1.45
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 51.45
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

5-fluoro-1,2-dimethoxy-3-nitrobenzene
CID 118807824
2-methoxy-6-nitro-4-(sulfanylmethyl)phenol
CID 116987643
4-fluoro-2-(hydroxymethyl)-6-nitrophenol
CID 117280586
2-(4-hydroxy-3-methoxy-5-nitrophenyl)acetonitrile
CID 116987650
4-(4-aminophenyl)-2-methoxy-6-nitrophenol
CID 116987628
4-[(1R)-1-amino-3,3-difluoropropyl]-2-methoxy-6-nitrophenol
CID 171313762
4-[(1R)-1-amino-3-fluoropropyl]-2-methoxy-6-nitrophenol;hydrochloride
CID 171208094
4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol
CID 117306184
4-[(1R)-1-aminoprop-2-enyl]-2-methoxy-6-nitrophenol
CID 171208075
4-[(1S)-1,2-diaminoethyl]-2-methoxy-6-nitrophenol
CID 66518103
4-(3-aminopropyl)-2-methoxy-6-nitrophenol
CID 83477660
4-[(1S)-1-aminoprop-2-enyl]-2-methoxy-6-nitrophenol
CID 171227655

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-6-nitrophenol?
The IUPAC name of 4-fluoro-2-methoxy-6-nitrophenol (CID 134392027) is 4-fluoro-2-methoxy-6-nitrophenol.
What is the SMILES notation for 4-fluoro-2-methoxy-6-nitrophenol?
The canonical SMILES for 4-fluoro-2-methoxy-6-nitrophenol is COc1cc(F)cc([N+](=O)[O-])c1O.
What is the InChIKey of 4-fluoro-2-methoxy-6-nitrophenol?
The InChIKey is GHCUDELWKVFNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO4/c1-13-6-3-4(8)2-5(7(6)10)9(11)12/h2-3,10H,1H3.
What are the key properties of 4-fluoro-2-methoxy-6-nitrophenol?
4-fluoro-2-methoxy-6-nitrophenol has a molecular weight of 187.13 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-6-nitrophenol is sourced from PubChem (CID 134392027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).