3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid

C10H14NO4P — CID 169084705

IUPAC3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid
SMILESCC(=NO)C(C)P(=O)(O)Oc1ccccc1
InChIInChI=1S/C10H14NO4P/c1-8(11-12)9(2)16(13,14)15-10-6-4-3-5-7-10/h3-7,9,12H,1-2H3,(H,13,14)
InChIKeyHQEGIUWRZONFJO-UHFFFAOYSA-N
MW243.20 g/mol
LogP2.49
Rot. Bonds4

About 3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid

3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid (PubChem CID 169084705) has the molecular formula C10H14NO4P and a molecular weight of 243.20 g/mol. Its IUPAC name is 3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid.

Molecular Properties

Compound Name3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid
PubChem CID169084705
Molecular FormulaC10H14NO4P
Molecular Weight243.20 g/mol
Exact Mass243.07
IUPAC Name3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid
SMILESCC(=NO)C(C)P(=O)(O)Oc1ccccc1
InChIInChI=1S/C10H14NO4P/c1-8(11-12)9(2)16(13,14)15-10-6-4-3-5-7-10/h3-7,9,12H,1-2H3,(H,13,14)
InChIKeyHQEGIUWRZONFJO-UHFFFAOYSA-N
XLogP2.49
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 52.49
H-Bond Donors ≤ 52
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid?
The IUPAC name of 3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid (CID 169084705) is 3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid.
What is the SMILES notation for 3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid?
The canonical SMILES for 3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid is CC(=NO)C(C)P(=O)(O)Oc1ccccc1.
What is the InChIKey of 3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid?
The InChIKey is HQEGIUWRZONFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO4P/c1-8(11-12)9(2)16(13,14)15-10-6-4-3-5-7-10/h3-7,9,12H,1-2H3,(H,13,14).
What are the key properties of 3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid?
3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid has a molecular weight of 243.20 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid is sourced from PubChem (CID 169084705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).