4-fluoro-2-(hydroxymethyl)-6-nitrophenol

C7H6FNO4 — CID 117280586

IUPAC4-fluoro-2-(hydroxymethyl)-6-nitrophenol
SMILESO=[N+]([O-])c1cc(F)cc(CO)c1O
InChIInChI=1S/C7H6FNO4/c8-5-1-4(3-10)7(11)6(2-5)9(12)13/h1-2,10-11H,3H2
InChIKeyMHSFPSFKGDRXAA-UHFFFAOYSA-N
MW187.13 g/mol
LogP0.93
Rot. Bonds2

About 4-fluoro-2-(hydroxymethyl)-6-nitrophenol

4-fluoro-2-(hydroxymethyl)-6-nitrophenol (PubChem CID 117280586) has the molecular formula C7H6FNO4 and a molecular weight of 187.13 g/mol. Its IUPAC name is 4-fluoro-2-(hydroxymethyl)-6-nitrophenol.

Molecular Properties

Compound Name4-fluoro-2-(hydroxymethyl)-6-nitrophenol
PubChem CID117280586
Molecular FormulaC7H6FNO4
Molecular Weight187.13 g/mol
Exact Mass187.03
IUPAC Name4-fluoro-2-(hydroxymethyl)-6-nitrophenol
SMILESO=[N+]([O-])c1cc(F)cc(CO)c1O
InChIInChI=1S/C7H6FNO4/c8-5-1-4(3-10)7(11)6(2-5)9(12)13/h1-2,10-11H,3H2
InChIKeyMHSFPSFKGDRXAA-UHFFFAOYSA-N
XLogP0.93
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 50.93
H-Bond Donors ≤ 52
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-fluoro-2-methoxy-6-nitrophenol
CID 134392027
4-fluoro-2-nitro-6-(trifluoromethyl)phenol
CID 69400502
(2,4-difluoro-5-nitrophenyl)methanol
CID 43753541
2-bromo-1-(5-fluoro-2-hydroxy-3-nitrophenyl)ethanone
CID 53441697
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930
4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol
CID 117306184
(2,4,5-trinitrophenyl)methanol
CID 53422846
4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol
CID 117303487
2-[2-(bromomethyl)-5-fluoro-3-nitrophenyl]acetic acid
CID 171011427
5-(hydroxymethyl)-3-nitrobenzene-1,2-diol
CID 18990374
(4-chloro-5-fluoro-2-nitrophenyl)methanol
CID 91619131
2-(4-chlorobut-1-enyl)-4-fluoro-6-nitrophenol
CID 170499805

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(hydroxymethyl)-6-nitrophenol?
The IUPAC name of 4-fluoro-2-(hydroxymethyl)-6-nitrophenol (CID 117280586) is 4-fluoro-2-(hydroxymethyl)-6-nitrophenol.
What is the SMILES notation for 4-fluoro-2-(hydroxymethyl)-6-nitrophenol?
The canonical SMILES for 4-fluoro-2-(hydroxymethyl)-6-nitrophenol is O=[N+]([O-])c1cc(F)cc(CO)c1O.
What is the InChIKey of 4-fluoro-2-(hydroxymethyl)-6-nitrophenol?
The InChIKey is MHSFPSFKGDRXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO4/c8-5-1-4(3-10)7(11)6(2-5)9(12)13/h1-2,10-11H,3H2.
What are the key properties of 4-fluoro-2-(hydroxymethyl)-6-nitrophenol?
4-fluoro-2-(hydroxymethyl)-6-nitrophenol has a molecular weight of 187.13 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(hydroxymethyl)-6-nitrophenol is sourced from PubChem (CID 117280586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).