hydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium

C3H6O4P+ — CID 87157731

IUPAChydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium
SMILESC=CC(O)O[P+](=O)O
InChIInChI=1S/C3H5O4P/c1-2-3(4)7-8(5)6/h2-4H,1H2/p+1
InChIKeyBWYHIRVSIXGYAL-UHFFFAOYSA-O
MW137.05 g/mol
LogP0.16
Rot. Bonds3

About hydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium

hydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium (PubChem CID 87157731) has the molecular formula C3H6O4P+ and a molecular weight of 137.05 g/mol. Its IUPAC name is hydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium
PubChem CID87157731
Molecular FormulaC3H6O4P+
Molecular Weight137.05 g/mol
Exact Mass137.00
IUPAC Namehydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium
SMILESC=CC(O)O[P+](=O)O
InChIInChI=1S/C3H5O4P/c1-2-3(4)7-8(5)6/h2-4H,1H2/p+1
InChIKeyBWYHIRVSIXGYAL-UHFFFAOYSA-O
XLogP0.16
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.05
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-hydroxyprop-2-enoxy-(1-hydroxyprop-2-enyl)-oxophosphanium
CID 88757330
1-(1-hydroxyprop-2-enoxy)prop-2-en-1-ol
CID 22251489
bis(dihydroxy(oxo)phosphanium);ethenol
CID 87088723
1-hydroxyprop-2-enyl hydrogen carbonate
CID 87136419
[(1S,2S)-1,2-dihydroxypropoxy]-hydroxy-oxophosphanium
CID 88613904
ethenoxy-hydroxy-oxophosphanium
CID 6328071
(4S)-hexa-1,5-diene-3,4-diol
CID 15562511
bis(1-hydroxyprop-2-enyl) (E)-but-2-enedioate
CID 87098165
2-(1-hydroxyprop-2-enoxy)but-3-enoic acid
CID 87617356
[(1R,2R)-1-amino-2-hydroxypropoxy]-hydroxy-oxophosphanium
CID 87190304
acetylene;ethenoxy-hydroxy-oxophosphanium
CID 175157956
1-ethenylperoxyprop-2-en-1-ol
CID 88593785

Frequently Asked Questions

What is the IUPAC name of hydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium?
The IUPAC name of hydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium (CID 87157731) is hydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium.
What is the SMILES notation for hydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium?
The canonical SMILES for hydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium is C=CC(O)O[P+](=O)O.
What is the InChIKey of hydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium?
The InChIKey is BWYHIRVSIXGYAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H5O4P/c1-2-3(4)7-8(5)6/h2-4H,1H2/p+1.
What are the key properties of hydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium?
hydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium has a molecular weight of 137.05 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(1-hydroxyprop-2-enoxy)-oxophosphanium is sourced from PubChem (CID 87157731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).