2-(dihydroxyamino)-4-(hydroxymethyl)phenol

C7H9NO4 — CID 163161801

IUPAC2-(dihydroxyamino)-4-(hydroxymethyl)phenol
SMILESOCc1ccc(O)c(N(O)O)c1
InChIInChI=1S/C7H9NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3,9-12H,4H2
InChIKeyRGPHZGYLIIRSFN-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.47
Rot. Bonds2

About 2-(dihydroxyamino)-4-(hydroxymethyl)phenol

2-(dihydroxyamino)-4-(hydroxymethyl)phenol (PubChem CID 163161801) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 2-(dihydroxyamino)-4-(hydroxymethyl)phenol.

Molecular Properties

Compound Name2-(dihydroxyamino)-4-(hydroxymethyl)phenol
PubChem CID163161801
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name2-(dihydroxyamino)-4-(hydroxymethyl)phenol
SMILESOCc1ccc(O)c(N(O)O)c1
InChIInChI=1S/C7H9NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3,9-12H,4H2
InChIKeyRGPHZGYLIIRSFN-UHFFFAOYSA-N
XLogP0.47
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dihydroxyamino)-4-(hydroxymethyl)phenol?
The IUPAC name of 2-(dihydroxyamino)-4-(hydroxymethyl)phenol (CID 163161801) is 2-(dihydroxyamino)-4-(hydroxymethyl)phenol.
What is the SMILES notation for 2-(dihydroxyamino)-4-(hydroxymethyl)phenol?
The canonical SMILES for 2-(dihydroxyamino)-4-(hydroxymethyl)phenol is OCc1ccc(O)c(N(O)O)c1.
What is the InChIKey of 2-(dihydroxyamino)-4-(hydroxymethyl)phenol?
The InChIKey is RGPHZGYLIIRSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3,9-12H,4H2.
What are the key properties of 2-(dihydroxyamino)-4-(hydroxymethyl)phenol?
2-(dihydroxyamino)-4-(hydroxymethyl)phenol has a molecular weight of 171.15 g/mol, XLogP of 0.47, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dihydroxyamino)-4-(hydroxymethyl)phenol is sourced from PubChem (CID 163161801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).