tribenzoyl(ethyl)phosphanium

C23H20O3P+ — CID 67361318

IUPACtribenzoyl(ethyl)phosphanium
SMILESCC[P+](C(=O)c1ccccc1)(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C23H20O3P/c1-2-27(21(24)18-12-6-3-7-13-18,22(25)19-14-8-4-9-15-19)23(26)20-16-10-5-11-17-20/h3-17H,2H2,1H3/q+1
InChIKeyAHAGGOUVQDKUPU-UHFFFAOYSA-N
MW375.38 g/mol
LogP5.55
Rot. Bonds7

About tribenzoyl(ethyl)phosphanium

tribenzoyl(ethyl)phosphanium (PubChem CID 67361318) has the molecular formula C23H20O3P+ and a molecular weight of 375.38 g/mol. Its IUPAC name is tribenzoyl(ethyl)phosphanium.

Molecular Properties

Compound Nametribenzoyl(ethyl)phosphanium
PubChem CID67361318
Molecular FormulaC23H20O3P+
Molecular Weight375.38 g/mol
Exact Mass375.11
IUPAC Nametribenzoyl(ethyl)phosphanium
SMILESCC[P+](C(=O)c1ccccc1)(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C23H20O3P/c1-2-27(21(24)18-12-6-3-7-13-18,22(25)19-14-8-4-9-15-19)23(26)20-16-10-5-11-17-20/h3-17H,2H2,1H3/q+1
InChIKeyAHAGGOUVQDKUPU-UHFFFAOYSA-N
XLogP5.55
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.38
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl(111C)propan-1-one
CID 11159350
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
4-benzoylheptane-3,5-dione
CID 107431218
benzohydrazide;propane
CID 90709051
benzenecarboperoxoic acid;propane
CID 87106834
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
benzoic acid;4-propylheptane-3,5-diol
CID 66896596
2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one
CID 43796822
(1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one
CID 160648144
N-phenyl-N-propanoylbenzamide
CID 13029157

Frequently Asked Questions

What is the IUPAC name of tribenzoyl(ethyl)phosphanium?
The IUPAC name of tribenzoyl(ethyl)phosphanium (CID 67361318) is tribenzoyl(ethyl)phosphanium.
What is the SMILES notation for tribenzoyl(ethyl)phosphanium?
The canonical SMILES for tribenzoyl(ethyl)phosphanium is CC[P+](C(=O)c1ccccc1)(C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of tribenzoyl(ethyl)phosphanium?
The InChIKey is AHAGGOUVQDKUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3P/c1-2-27(21(24)18-12-6-3-7-13-18,22(25)19-14-8-4-9-15-19)23(26)20-16-10-5-11-17-20/h3-17H,2H2,1H3/q+1.
What are the key properties of tribenzoyl(ethyl)phosphanium?
tribenzoyl(ethyl)phosphanium has a molecular weight of 375.38 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzoyl(ethyl)phosphanium is sourced from PubChem (CID 67361318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).