(3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium

C10H12O4P+ — CID 173167029

IUPAC(3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium
SMILESO=[PH+]C(CO)C(=O)OCc1ccccc1
InChIInChI=1S/C10H11O4P/c11-6-9(15-13)10(12)14-7-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/p+1
InChIKeyDINPIJIXLMROCQ-UHFFFAOYSA-O
MW227.18 g/mol
LogP1.11
Rot. Bonds5

About (3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium

(3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium (PubChem CID 173167029) has the molecular formula C10H12O4P+ and a molecular weight of 227.18 g/mol. Its IUPAC name is (3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium.

Molecular Properties

Compound Name(3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium
PubChem CID173167029
Molecular FormulaC10H12O4P+
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Name(3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium
SMILESO=[PH+]C(CO)C(=O)OCc1ccccc1
InChIInChI=1S/C10H11O4P/c11-6-9(15-13)10(12)14-7-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/p+1
InChIKeyDINPIJIXLMROCQ-UHFFFAOYSA-O
XLogP1.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.11
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

benzyl 2-(18F)fluoro-3-hydroxypropanoate
CID 153425046
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
2-amino-3-(hydroxymethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 174396702
tetrabenzyl propane-1,1,3,3-tetracarboxylate
CID 139256040
benzyl 2-amino-2-hydroxyacetate
CID 123342440
benzyl (2S)-2-aminopropanoate
CID 726858
benzenesulfonic acid;benzyl 2-amino-3-hydroxypropanoate
CID 13191980
2,3-dihydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 19925824
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
benzyl 2,3-diaminopropanoate
CID 19891176
benzyl 2-acetyl-3-oxobutanoate
CID 15496135

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium?
The IUPAC name of (3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium (CID 173167029) is (3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium.
What is the SMILES notation for (3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium?
The canonical SMILES for (3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium is O=[PH+]C(CO)C(=O)OCc1ccccc1.
What is the InChIKey of (3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium?
The InChIKey is DINPIJIXLMROCQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11O4P/c11-6-9(15-13)10(12)14-7-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/p+1.
What are the key properties of (3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium?
(3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium has a molecular weight of 227.18 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)-oxophosphanium is sourced from PubChem (CID 173167029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).