tris(carboxymethyl)-phenacylphosphanium

C14H16O7P+ — CID 139734729

IUPACtris(carboxymethyl)-phenacylphosphanium
SMILESO=C(O)C[P+](CC(=O)O)(CC(=O)O)CC(=O)c1ccccc1
InChIInChI=1S/C14H15O7P/c15-11(10-4-2-1-3-5-10)6-22(7-12(16)17,8-13(18)19)9-14(20)21/h1-5H,6-9H2,(H2-,16,17,18,19,20,21)/p+1
InChIKeyDELJIKIHLDJTSN-UHFFFAOYSA-O
MW327.25 g/mol
LogP1.14
Rot. Bonds9

About tris(carboxymethyl)-phenacylphosphanium

tris(carboxymethyl)-phenacylphosphanium (PubChem CID 139734729) has the molecular formula C14H16O7P+ and a molecular weight of 327.25 g/mol. Its IUPAC name is tris(carboxymethyl)-phenacylphosphanium.

Molecular Properties

Compound Nametris(carboxymethyl)-phenacylphosphanium
PubChem CID139734729
Molecular FormulaC14H16O7P+
Molecular Weight327.25 g/mol
Exact Mass327.06
IUPAC Nametris(carboxymethyl)-phenacylphosphanium
SMILESO=C(O)C[P+](CC(=O)O)(CC(=O)O)CC(=O)c1ccccc1
InChIInChI=1S/C14H15O7P/c15-11(10-4-2-1-3-5-10)6-22(7-12(16)17,8-13(18)19)9-14(20)21/h1-5H,6-9H2,(H2-,16,17,18,19,20,21)/p+1
InChIKeyDELJIKIHLDJTSN-UHFFFAOYSA-O
XLogP1.14
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
3-oxo-3-phenylpropanoic acid;silver
CID 87120895
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione
CID 57327357
benzene;2-hydroxy-1-phenylethanone
CID 174663024
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
tris(2-fluorophenyl)-phenacylphosphanium
CID 139734420
azane;2-hydroxy-1-phenylethanone
CID 161228887
CID 173152165
CID 173152165
1-phenyl(111C)propan-1-one
CID 11159350

Frequently Asked Questions

What is the IUPAC name of tris(carboxymethyl)-phenacylphosphanium?
The IUPAC name of tris(carboxymethyl)-phenacylphosphanium (CID 139734729) is tris(carboxymethyl)-phenacylphosphanium.
What is the SMILES notation for tris(carboxymethyl)-phenacylphosphanium?
The canonical SMILES for tris(carboxymethyl)-phenacylphosphanium is O=C(O)C[P+](CC(=O)O)(CC(=O)O)CC(=O)c1ccccc1.
What is the InChIKey of tris(carboxymethyl)-phenacylphosphanium?
The InChIKey is DELJIKIHLDJTSN-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15O7P/c15-11(10-4-2-1-3-5-10)6-22(7-12(16)17,8-13(18)19)9-14(20)21/h1-5H,6-9H2,(H2-,16,17,18,19,20,21)/p+1.
What are the key properties of tris(carboxymethyl)-phenacylphosphanium?
tris(carboxymethyl)-phenacylphosphanium has a molecular weight of 327.25 g/mol, XLogP of 1.14, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carboxymethyl)-phenacylphosphanium is sourced from PubChem (CID 139734729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).