(3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid

C15H16NO4P — CID 169084697

IUPAC(3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid
SMILESO=P(O)(Oc1ccccc1)C(CC=NO)c1ccccc1
InChIInChI=1S/C15H16NO4P/c17-16-12-11-15(13-7-3-1-4-8-13)21(18,19)20-14-9-5-2-6-10-14/h1-10,12,15,17H,11H2,(H,18,19)
InChIKeyWDVXANIZOLEJQY-UHFFFAOYSA-N
MW305.27 g/mol
LogP3.84
Rot. Bonds6

About (3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid

(3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid (PubChem CID 169084697) has the molecular formula C15H16NO4P and a molecular weight of 305.27 g/mol. Its IUPAC name is (3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid.

Molecular Properties

Compound Name(3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid
PubChem CID169084697
Molecular FormulaC15H16NO4P
Molecular Weight305.27 g/mol
Exact Mass305.08
IUPAC Name(3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid
SMILESO=P(O)(Oc1ccccc1)C(CC=NO)c1ccccc1
InChIInChI=1S/C15H16NO4P/c17-16-12-11-15(13-7-3-1-4-8-13)21(18,19)20-14-9-5-2-6-10-14/h1-10,12,15,17H,11H2,(H,18,19)
InChIKeyWDVXANIZOLEJQY-UHFFFAOYSA-N
XLogP3.84
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 53.84
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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Related Compounds

(3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid
CID 169084805
N-(3,3-diphenylpropylidene)hydroxylamine
CID 174472978
(1-amino-2-phenylethyl)-phenoxyphosphinic acid
CID 46886351
4-hydroxyimino-2-phenoxybutanoic acid
CID 173335347
diphenyl hydrogen phosphate;dihydrate
CID 21115845
diphenyl hydrogen phosphate;silane
CID 175425543
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
(S)-diphenoxyphosphoryl(phenyl)methanol
CID 36690824
3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid
CID 169084705
chloroform;diphenyl hydrogen phosphate
CID 174899919
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
(3-hydroxyimino-1-phenylbutyl)-propan-2-ylphosphinic acid
CID 169084814

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid?
The IUPAC name of (3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid (CID 169084697) is (3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid.
What is the SMILES notation for (3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid?
The canonical SMILES for (3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid is O=P(O)(Oc1ccccc1)C(CC=NO)c1ccccc1.
What is the InChIKey of (3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid?
The InChIKey is WDVXANIZOLEJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16NO4P/c17-16-12-11-15(13-7-3-1-4-8-13)21(18,19)20-14-9-5-2-6-10-14/h1-10,12,15,17H,11H2,(H,18,19).
What are the key properties of (3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid?
(3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid has a molecular weight of 305.27 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid is sourced from PubChem (CID 169084697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).