(4-methoxy-4-oxobutyl)-triphenylphosphanium

C23H24O2P+ — CID 11015715

IUPAC(4-methoxy-4-oxobutyl)-triphenylphosphanium
SMILESCOC(=O)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O2P/c1-25-23(24)18-11-19-26(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17H,11,18-19H2,1H3/q+1
InChIKeyLDAXIDLZUCZIAU-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.93
Rot. Bonds7

About (4-methoxy-4-oxobutyl)-triphenylphosphanium

(4-methoxy-4-oxobutyl)-triphenylphosphanium (PubChem CID 11015715) has the molecular formula C23H24O2P+ and a molecular weight of 363.42 g/mol. Its IUPAC name is (4-methoxy-4-oxobutyl)-triphenylphosphanium.

Molecular Properties

Compound Name(4-methoxy-4-oxobutyl)-triphenylphosphanium
PubChem CID11015715
Molecular FormulaC23H24O2P+
Molecular Weight363.42 g/mol
Exact Mass363.15
IUPAC Name(4-methoxy-4-oxobutyl)-triphenylphosphanium
SMILESCOC(=O)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O2P/c1-25-23(24)18-11-19-26(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17H,11,18-19H2,1H3/q+1
InChIKeyLDAXIDLZUCZIAU-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-methoxy-4-oxobutyl)-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
(3-methoxy-3-oxopropyl)-triphenylphosphanium
CID 6332300
methyl 5,5-diphenylpentanoate
CID 10923549
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
(6-ethoxy-6-oxohexyl)-triphenylphosphanium
CID 10345272
(8-ethoxy-8-oxooctyl)-triphenylphosphanium bromide
CID 20534497
[5-oxo-5-[4-(phenylcarbamoylamino)phenoxy]pentyl]-triphenylphosphanium
CID 88754013
(6-butan-2-yloxy-6-oxohexyl)-triphenylphosphanium bromide
CID 133061652
bromomethane;6-carboxyhexyl(triphenyl)phosphanium
CID 177012688
methyl 8-hydroxy-8-phenyloctanoate
CID 139616789
methyl 5-anilino-5-phenylpentanoate
CID 11818425

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-4-oxobutyl)-triphenylphosphanium?
The IUPAC name of (4-methoxy-4-oxobutyl)-triphenylphosphanium (CID 11015715) is (4-methoxy-4-oxobutyl)-triphenylphosphanium.
What is the SMILES notation for (4-methoxy-4-oxobutyl)-triphenylphosphanium?
The canonical SMILES for (4-methoxy-4-oxobutyl)-triphenylphosphanium is COC(=O)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4-methoxy-4-oxobutyl)-triphenylphosphanium?
The InChIKey is LDAXIDLZUCZIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2P/c1-25-23(24)18-11-19-26(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17H,11,18-19H2,1H3/q+1.
What are the key properties of (4-methoxy-4-oxobutyl)-triphenylphosphanium?
(4-methoxy-4-oxobutyl)-triphenylphosphanium has a molecular weight of 363.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-4-oxobutyl)-triphenylphosphanium is sourced from PubChem (CID 11015715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).