3-hydroxypropanoyloxy-oxo-phenylphosphanium

C9H10O4P+ — CID 175482625

IUPAC3-hydroxypropanoyloxy-oxo-phenylphosphanium
SMILESO=C(CCO)O[P+](=O)c1ccccc1
InChIInChI=1S/C9H10O4P/c10-7-6-9(11)13-14(12)8-4-2-1-3-5-8/h1-5,10H,6-7H2/q+1
InChIKeyJWEDYOGFDWWDCC-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.98
Rot. Bonds4

About 3-hydroxypropanoyloxy-oxo-phenylphosphanium

3-hydroxypropanoyloxy-oxo-phenylphosphanium (PubChem CID 175482625) has the molecular formula C9H10O4P+ and a molecular weight of 213.15 g/mol. Its IUPAC name is 3-hydroxypropanoyloxy-oxo-phenylphosphanium.

Molecular Properties

Compound Name3-hydroxypropanoyloxy-oxo-phenylphosphanium
PubChem CID175482625
Molecular FormulaC9H10O4P+
Molecular Weight213.15 g/mol
Exact Mass213.03
IUPAC Name3-hydroxypropanoyloxy-oxo-phenylphosphanium
SMILESO=C(CCO)O[P+](=O)c1ccccc1
InChIInChI=1S/C9H10O4P/c10-7-6-9(11)13-14(12)8-4-2-1-3-5-8/h1-5,10H,6-7H2/q+1
InChIKeyJWEDYOGFDWWDCC-UHFFFAOYSA-N
XLogP0.98
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.98
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

oxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium
CID 87804658
aminooxy-oxo-phenylphosphanium
CID 67992641
trityl 3-hydroxypropanoate
CID 139650965
2-phenylethenyl 3-hydroxypropanoate
CID 174401435
magnesium;hydride;oxo-phenoxy-phenylphosphanium
CID 173003254
benzylsulfonyl 3-hydroxypropanoate
CID 171561770
(2,2,2-trichloro-1-phenylethyl) 3-hydroxypropanoate
CID 174826449
heptoxy-oxo-phenylphosphanium
CID 14512427
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
oxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium
CID 57124965
5-hydroxy-2-methyl-3-phenylpent-2-enoic acid
CID 70014663
5-methylhexoxy-oxo-phenylphosphanium
CID 175576882

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropanoyloxy-oxo-phenylphosphanium?
The IUPAC name of 3-hydroxypropanoyloxy-oxo-phenylphosphanium (CID 175482625) is 3-hydroxypropanoyloxy-oxo-phenylphosphanium.
What is the SMILES notation for 3-hydroxypropanoyloxy-oxo-phenylphosphanium?
The canonical SMILES for 3-hydroxypropanoyloxy-oxo-phenylphosphanium is O=C(CCO)O[P+](=O)c1ccccc1.
What is the InChIKey of 3-hydroxypropanoyloxy-oxo-phenylphosphanium?
The InChIKey is JWEDYOGFDWWDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4P/c10-7-6-9(11)13-14(12)8-4-2-1-3-5-8/h1-5,10H,6-7H2/q+1.
What are the key properties of 3-hydroxypropanoyloxy-oxo-phenylphosphanium?
3-hydroxypropanoyloxy-oxo-phenylphosphanium has a molecular weight of 213.15 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropanoyloxy-oxo-phenylphosphanium is sourced from PubChem (CID 175482625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).