benzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium

C24H26O2P+ — CID 6332715

IUPACbenzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium
SMILESCCOC(=O)CC[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2P/c1-2-26-24(25)18-19-27(22-14-8-4-9-15-22,23-16-10-5-11-17-23)20-21-12-6-3-7-13-21/h3-17H,2,18-20H2,1H3/q+1
InChIKeyUAFVZUXBXGJLRL-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.81
Rot. Bonds8

About benzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium

benzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium (PubChem CID 6332715) has the molecular formula C24H26O2P+ and a molecular weight of 377.44 g/mol. Its IUPAC name is benzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium.

Molecular Properties

Compound Namebenzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium
PubChem CID6332715
Molecular FormulaC24H26O2P+
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Namebenzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium
SMILESCCOC(=O)CC[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2P/c1-2-26-24(25)18-19-27(22-14-8-4-9-15-22,23-16-10-5-11-17-23)20-21-12-6-3-7-13-21/h3-17H,2,18-20H2,1H3/q+1
InChIKeyUAFVZUXBXGJLRL-UHFFFAOYSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823
(6-ethoxy-6-oxohexyl)-triphenylphosphanium
CID 10345272
diethyl (2S)-2-benzylbutanedioate
CID 24748926
(8-ethoxy-8-oxooctyl)-triphenylphosphanium bromide
CID 20534497
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
1-O,1-O-dibenzyl 3-O-ethyl propane-1,1,3-tricarboxylate
CID 101179268
ethyl 2-phenylacetate
CID 7590
ethyl 3-bromo-5-phenylpentanoate
CID 18918606
5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 3-phenylpropanoate;propanal
CID 90891703
ethyl 3-(4-phenylbutan-2-ylamino)propanoate
CID 24773124

Frequently Asked Questions

What is the IUPAC name of benzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium?
The IUPAC name of benzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium (CID 6332715) is benzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium.
What is the SMILES notation for benzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium?
The canonical SMILES for benzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium is CCOC(=O)CC[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium?
The InChIKey is UAFVZUXBXGJLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2P/c1-2-26-24(25)18-19-27(22-14-8-4-9-15-22,23-16-10-5-11-17-23)20-21-12-6-3-7-13-21/h3-17H,2,18-20H2,1H3/q+1.
What are the key properties of benzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium?
benzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium has a molecular weight of 377.44 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium is sourced from PubChem (CID 6332715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).