3-(1-hydroxy-2-hydroxyiminopropyl)phenol

C9H11NO3 — CID 130765393

IUPAC3-(1-hydroxy-2-hydroxyiminopropyl)phenol
SMILESCC(=NO)C(O)c1cccc(O)c1
InChIInChI=1S/C9H11NO3/c1-6(10-13)9(12)7-3-2-4-8(11)5-7/h2-5,9,11-13H,1H3
InChIKeyVVCLQUZJZTZKOH-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.28
Rot. Bonds2

About 3-(1-hydroxy-2-hydroxyiminopropyl)phenol

3-(1-hydroxy-2-hydroxyiminopropyl)phenol (PubChem CID 130765393) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(1-hydroxy-2-hydroxyiminopropyl)phenol.

Molecular Properties

Compound Name3-(1-hydroxy-2-hydroxyiminopropyl)phenol
PubChem CID130765393
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-(1-hydroxy-2-hydroxyiminopropyl)phenol
SMILESCC(=NO)C(O)c1cccc(O)c1
InChIInChI=1S/C9H11NO3/c1-6(10-13)9(12)7-3-2-4-8(11)5-7/h2-5,9,11-13H,1H3
InChIKeyVVCLQUZJZTZKOH-UHFFFAOYSA-N
XLogP1.28
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 3-(1-hydroxy-2-hydroxyiminopropyl)phenol?
The IUPAC name of 3-(1-hydroxy-2-hydroxyiminopropyl)phenol (CID 130765393) is 3-(1-hydroxy-2-hydroxyiminopropyl)phenol.
What is the SMILES notation for 3-(1-hydroxy-2-hydroxyiminopropyl)phenol?
The canonical SMILES for 3-(1-hydroxy-2-hydroxyiminopropyl)phenol is CC(=NO)C(O)c1cccc(O)c1.
What is the InChIKey of 3-(1-hydroxy-2-hydroxyiminopropyl)phenol?
The InChIKey is VVCLQUZJZTZKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6(10-13)9(12)7-3-2-4-8(11)5-7/h2-5,9,11-13H,1H3.
What are the key properties of 3-(1-hydroxy-2-hydroxyiminopropyl)phenol?
3-(1-hydroxy-2-hydroxyiminopropyl)phenol has a molecular weight of 181.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2-hydroxyiminopropyl)phenol is sourced from PubChem (CID 130765393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).