hydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium

C9H10O5P+ — CID 172802900

IUPAChydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium
SMILESO=C(COc1ccccc1)CO[P+](=O)O
InChIInChI=1S/C9H9O5P/c10-8(7-14-15(11)12)6-13-9-4-2-1-3-5-9/h1-5H,6-7H2/p+1
InChIKeyATDIIWQPVBTHML-UHFFFAOYSA-O
MW229.15 g/mol
LogP1.30
Rot. Bonds6

About hydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium

hydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium (PubChem CID 172802900) has the molecular formula C9H10O5P+ and a molecular weight of 229.15 g/mol. Its IUPAC name is hydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium
PubChem CID172802900
Molecular FormulaC9H10O5P+
Molecular Weight229.15 g/mol
Exact Mass229.03
IUPAC Namehydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium
SMILESO=C(COc1ccccc1)CO[P+](=O)O
InChIInChI=1S/C9H9O5P/c10-8(7-14-15(11)12)6-13-9-4-2-1-3-5-9/h1-5H,6-7H2/p+1
InChIKeyATDIIWQPVBTHML-UHFFFAOYSA-O
XLogP1.30
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-oxo-(2-phenoxyethoxy)phosphanium
CID 126570180
hydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium
CID 70451922
2-phenoxyacetic acid;titanium
CID 174896747
2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid
CID 63651467
1-phenoxypent-4-en-2-one
CID 62716371
(2-oxo-3-phenoxypropyl)phosphonic acid
CID 22768553
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-oxo-3-phenoxypropanoic acid
CID 18994126
phenyl 3-oxo-4-phenoxybutanoate;hydrochloride
CID 172718464
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
chloromethane;2-phenoxyacetic acid
CID 157255542
naphthalene;2-phenoxyacetic acid
CID 175275275

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium?
The IUPAC name of hydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium (CID 172802900) is hydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium.
What is the SMILES notation for hydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium?
The canonical SMILES for hydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium is O=C(COc1ccccc1)CO[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium?
The InChIKey is ATDIIWQPVBTHML-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9O5P/c10-8(7-14-15(11)12)6-13-9-4-2-1-3-5-9/h1-5H,6-7H2/p+1.
What are the key properties of hydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium?
hydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium has a molecular weight of 229.15 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium is sourced from PubChem (CID 172802900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).