(2-oxo-3-phenoxypropyl)phosphonic acid

C9H11O5P — CID 22768553

IUPAC(2-oxo-3-phenoxypropyl)phosphonic acid
SMILESO=C(COc1ccccc1)CP(=O)(O)O
InChIInChI=1S/C9H11O5P/c10-8(7-15(11,12)13)6-14-9-4-2-1-3-5-9/h1-5H,6-7H2,(H2,11,12,13)
InChIKeyHOTIIEHUMGQDMC-UHFFFAOYSA-N
MW230.16 g/mol
LogP0.81
Rot. Bonds5

About (2-oxo-3-phenoxypropyl)phosphonic acid

(2-oxo-3-phenoxypropyl)phosphonic acid (PubChem CID 22768553) has the molecular formula C9H11O5P and a molecular weight of 230.16 g/mol. Its IUPAC name is (2-oxo-3-phenoxypropyl)phosphonic acid.

Molecular Properties

Compound Name(2-oxo-3-phenoxypropyl)phosphonic acid
PubChem CID22768553
Molecular FormulaC9H11O5P
Molecular Weight230.16 g/mol
Exact Mass230.03
IUPAC Name(2-oxo-3-phenoxypropyl)phosphonic acid
SMILESO=C(COc1ccccc1)CP(=O)(O)O
InChIInChI=1S/C9H11O5P/c10-8(7-15(11,12)13)6-14-9-4-2-1-3-5-9/h1-5H,6-7H2,(H2,11,12,13)
InChIKeyHOTIIEHUMGQDMC-UHFFFAOYSA-N
XLogP0.81
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-phenoxyacetic acid;titanium
CID 174896747
1-phenoxypent-4-en-2-one
CID 62716371
5-methoxy-1-phenoxypentan-2-one
CID 115601921
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-oxo-3-phenoxypropanoic acid
CID 18994126
phenyl 3-oxo-4-phenoxybutanoate;hydrochloride
CID 172718464
hydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium
CID 172802900
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
chloromethane;2-phenoxyacetic acid
CID 157255542
naphthalene;2-phenoxyacetic acid
CID 175275275
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N'-chloro-2-phenoxyacetohydrazide
CID 174818653

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3-phenoxypropyl)phosphonic acid?
The IUPAC name of (2-oxo-3-phenoxypropyl)phosphonic acid (CID 22768553) is (2-oxo-3-phenoxypropyl)phosphonic acid.
What is the SMILES notation for (2-oxo-3-phenoxypropyl)phosphonic acid?
The canonical SMILES for (2-oxo-3-phenoxypropyl)phosphonic acid is O=C(COc1ccccc1)CP(=O)(O)O.
What is the InChIKey of (2-oxo-3-phenoxypropyl)phosphonic acid?
The InChIKey is HOTIIEHUMGQDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O5P/c10-8(7-15(11,12)13)6-14-9-4-2-1-3-5-9/h1-5H,6-7H2,(H2,11,12,13).
What are the key properties of (2-oxo-3-phenoxypropyl)phosphonic acid?
(2-oxo-3-phenoxypropyl)phosphonic acid has a molecular weight of 230.16 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3-phenoxypropyl)phosphonic acid is sourced from PubChem (CID 22768553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).