4-amino-2-(hydroperoxymethyl)phenol;vanadium

C7H9NO3V — CID 159326049

IUPAC4-amino-2-(hydroperoxymethyl)phenol;vanadium
SMILESNc1ccc(O)c(COO)c1.[V]
InChIInChI=1S/C7H9NO3.V/c8-6-1-2-7(9)5(3-6)4-11-10;/h1-3,9-10H,4,8H2;
InChIKeyLEJMCGPMKYLSMQ-UHFFFAOYSA-N
MW206.10 g/mol
LogP0.96
Rot. Bonds2

About 4-amino-2-(hydroperoxymethyl)phenol;vanadium

4-amino-2-(hydroperoxymethyl)phenol;vanadium (PubChem CID 159326049) has the molecular formula C7H9NO3V and a molecular weight of 206.10 g/mol. Its IUPAC name is 4-amino-2-(hydroperoxymethyl)phenol;vanadium.

Molecular Properties

Compound Name4-amino-2-(hydroperoxymethyl)phenol;vanadium
PubChem CID159326049
Molecular FormulaC7H9NO3V
Molecular Weight206.10 g/mol
Exact Mass206.00
IUPAC Name4-amino-2-(hydroperoxymethyl)phenol;vanadium
SMILESNc1ccc(O)c(COO)c1.[V]
InChIInChI=1S/C7H9NO3.V/c8-6-1-2-7(9)5(3-6)4-11-10;/h1-3,9-10H,4,8H2;
InChIKeyLEJMCGPMKYLSMQ-UHFFFAOYSA-N
XLogP0.96
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.10
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(hydroperoxymethyl)phenol;vanadium?
The IUPAC name of 4-amino-2-(hydroperoxymethyl)phenol;vanadium (CID 159326049) is 4-amino-2-(hydroperoxymethyl)phenol;vanadium.
What is the SMILES notation for 4-amino-2-(hydroperoxymethyl)phenol;vanadium?
The canonical SMILES for 4-amino-2-(hydroperoxymethyl)phenol;vanadium is Nc1ccc(O)c(COO)c1.[V].
What is the InChIKey of 4-amino-2-(hydroperoxymethyl)phenol;vanadium?
The InChIKey is LEJMCGPMKYLSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3.V/c8-6-1-2-7(9)5(3-6)4-11-10;/h1-3,9-10H,4,8H2;.
What are the key properties of 4-amino-2-(hydroperoxymethyl)phenol;vanadium?
4-amino-2-(hydroperoxymethyl)phenol;vanadium has a molecular weight of 206.10 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(hydroperoxymethyl)phenol;vanadium is sourced from PubChem (CID 159326049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).