2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol

C9H10FNO4 — CID 59470562

IUPAC2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol
SMILESCC(C(O)c1ccc(F)c(O)c1)[N+](=O)[O-]
InChIInChI=1S/C9H10FNO4/c1-5(11(14)15)9(13)6-2-3-7(10)8(12)4-6/h2-5,9,12-13H,1H3
InChIKeyAXUCKQJTAFUMLS-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.23
Rot. Bonds3

About 2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol

2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol (PubChem CID 59470562) has the molecular formula C9H10FNO4 and a molecular weight of 215.18 g/mol. Its IUPAC name is 2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol.

Molecular Properties

Compound Name2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol
PubChem CID59470562
Molecular FormulaC9H10FNO4
Molecular Weight215.18 g/mol
Exact Mass215.06
IUPAC Name2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol
SMILESCC(C(O)c1ccc(F)c(O)c1)[N+](=O)[O-]
InChIInChI=1S/C9H10FNO4/c1-5(11(14)15)9(13)6-2-3-7(10)8(12)4-6/h2-5,9,12-13H,1H3
InChIKeyAXUCKQJTAFUMLS-UHFFFAOYSA-N
XLogP1.23
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.23
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

5-(2-amino-1-hydroxybutyl)-2-fluorophenol
CID 123621171
3-[(1S,2S)-1-hydroxy-2-nitropropyl]phenol
CID 131629270
(1R,2S)-1-naphthalen-2-yl-2-nitropropan-1-ol
CID 101234159
4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877281
5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol
CID 83699285
5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 130859320
5-(3-amino-1-hydroxypropyl)-2-fluorophenol
CID 84769630
tert-butyl N-[4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884447
5-(1,2-diaminoethyl)-2-fluorophenol
CID 55283589
3-bromo-1-(3-hydroxy-4-nitrophenyl)propane-1,2-diol
CID 171860481
1-(6-methoxy-3-pyridinyl)-2-nitropropan-1-ol
CID 59339701
ethyl 3,4-dihydroxy-4-(3-hydroxy-4-nitrophenyl)butanoate
CID 171897881

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol?
The IUPAC name of 2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol (CID 59470562) is 2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol.
What is the SMILES notation for 2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol?
The canonical SMILES for 2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol is CC(C(O)c1ccc(F)c(O)c1)[N+](=O)[O-].
What is the InChIKey of 2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol?
The InChIKey is AXUCKQJTAFUMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4/c1-5(11(14)15)9(13)6-2-3-7(10)8(12)4-6/h2-5,9,12-13H,1H3.
What are the key properties of 2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol?
2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol has a molecular weight of 215.18 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol is sourced from PubChem (CID 59470562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).