5-(hydroxymethyl)-2-nitrophenol

C7H7NO4 — CID 14520114

IUPAC5-(hydroxymethyl)-2-nitrophenol
SMILESO=[N+]([O-])c1ccc(CO)cc1O
InChIInChI=1S/C7H7NO4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3,9-10H,4H2
InChIKeyYDFRYKXELURVHE-UHFFFAOYSA-N
MW169.14 g/mol
LogP0.79
Rot. Bonds2

About 5-(hydroxymethyl)-2-nitrophenol

5-(hydroxymethyl)-2-nitrophenol (PubChem CID 14520114) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-nitrophenol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-nitrophenol
PubChem CID14520114
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name5-(hydroxymethyl)-2-nitrophenol
SMILESO=[N+]([O-])c1ccc(CO)cc1O
InChIInChI=1S/C7H7NO4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3,9-10H,4H2
InChIKeyYDFRYKXELURVHE-UHFFFAOYSA-N
XLogP0.79
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.79
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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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-nitrophenol?
The IUPAC name of 5-(hydroxymethyl)-2-nitrophenol (CID 14520114) is 5-(hydroxymethyl)-2-nitrophenol.
What is the SMILES notation for 5-(hydroxymethyl)-2-nitrophenol?
The canonical SMILES for 5-(hydroxymethyl)-2-nitrophenol is O=[N+]([O-])c1ccc(CO)cc1O.
What is the InChIKey of 5-(hydroxymethyl)-2-nitrophenol?
The InChIKey is YDFRYKXELURVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3,9-10H,4H2.
What are the key properties of 5-(hydroxymethyl)-2-nitrophenol?
5-(hydroxymethyl)-2-nitrophenol has a molecular weight of 169.14 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-nitrophenol is sourced from PubChem (CID 14520114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).