oxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium

C9H9O5P2+ — CID 87804658

IUPACoxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium
SMILESO=POCCC(=O)O[P+](=O)c1ccccc1
InChIInChI=1S/C9H9O5P2/c10-9(6-7-13-15-11)14-16(12)8-4-2-1-3-5-8/h1-5H,6-7H2/q+1
InChIKeyWOWKSEOPCLIOMF-UHFFFAOYSA-N
MW259.11 g/mol
LogP2.21
Rot. Bonds6

About oxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium

oxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium (PubChem CID 87804658) has the molecular formula C9H9O5P2+ and a molecular weight of 259.11 g/mol. Its IUPAC name is oxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium.

Molecular Properties

Compound Nameoxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium
PubChem CID87804658
Molecular FormulaC9H9O5P2+
Molecular Weight259.11 g/mol
Exact Mass258.99
IUPAC Nameoxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium
SMILESO=POCCC(=O)O[P+](=O)c1ccccc1
InChIInChI=1S/C9H9O5P2/c10-9(6-7-13-15-11)14-16(12)8-4-2-1-3-5-8/h1-5H,6-7H2/q+1
InChIKeyWOWKSEOPCLIOMF-UHFFFAOYSA-N
XLogP2.21
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxypropanoyloxy-oxo-phenylphosphanium
CID 175482625
2-phosphorosooxyethylbenzene
CID 23393054
azane;2-phosphorosooxyethylbenzene
CID 69238979
magnesium;hydride;oxo-phenoxy-phenylphosphanium
CID 173003254
2-phenyl-4-phosphorosooxybutan-1-ol
CID 57195519
3-(hydroxyamino)propoxy-oxo-phenylphosphanium
CID 88775659
copper;hydroxy-oxo-phenylphosphanium;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 174902906
hydroxy-oxo-phenylphosphanium;zinc
CID 66795245
hydroxy-oxo-phenylphosphanium;hydrochloride
CID 172693291
1-phenoxyhexan-3-one
CID 60797707
dimagnesium;hydroxy-oxo-phenylphosphanium;tetrachloride
CID 172736603
propyl 3-phenoxypropanoate
CID 43389568

Frequently Asked Questions

What is the IUPAC name of oxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium?
The IUPAC name of oxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium (CID 87804658) is oxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium.
What is the SMILES notation for oxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium?
The canonical SMILES for oxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium is O=POCCC(=O)O[P+](=O)c1ccccc1.
What is the InChIKey of oxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium?
The InChIKey is WOWKSEOPCLIOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O5P2/c10-9(6-7-13-15-11)14-16(12)8-4-2-1-3-5-8/h1-5H,6-7H2/q+1.
What are the key properties of oxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium?
oxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium has a molecular weight of 259.11 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium is sourced from PubChem (CID 87804658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).