2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium

C29H29O2P2+ — CID 102474793

IUPAC2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium
SMILESCOC(=O)C[P+](CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29O2P2/c1-31-29(30)24-33(27-18-10-4-11-19-27,28-20-12-5-13-21-28)23-22-32(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h2-21H,22-24H2,1H3/q+1
InChIKeyQHFDKCNSBHXSQX-UHFFFAOYSA-N
MW471.50 g/mol
LogP4.96
Rot. Bonds9

About 2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium

2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium (PubChem CID 102474793) has the molecular formula C29H29O2P2+ and a molecular weight of 471.50 g/mol. Its IUPAC name is 2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium.

Molecular Properties

Compound Name2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium
PubChem CID102474793
Molecular FormulaC29H29O2P2+
Molecular Weight471.50 g/mol
Exact Mass471.16
IUPAC Name2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium
SMILESCOC(=O)C[P+](CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29O2P2/c1-31-29(30)24-33(27-18-10-4-11-19-27,28-20-12-5-13-21-28)23-22-32(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h2-21H,22-24H2,1H3/q+1
InChIKeyQHFDKCNSBHXSQX-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 54.96
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

CID 11999490
CID 11999490
2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium
CID 58362009
2-diphenylphosphanylethyl-[[4-[[2-diphenylphosphanylethyl(diphenyl)phosphaniumyl]methyl]-2,3,5,6-tetramethylphenyl]methyl]-diphenylphosphanium chloride
CID 54604618
(3-methoxy-3-oxopropyl)-triphenylphosphanium
CID 6332300
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
(4-methoxy-4-oxobutyl)-triphenylphosphanium
CID 11015715
methyl 4-[methoxy(phenyl)phosphanyl]butanoate
CID 144620027
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
dimethyl butanedioate;dimethyl (E)-but-2-enedioate;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(1+)
CID 11764243
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
3-diphenylphosphanylpropyl acetate
CID 57133096
3-O-(5-diphenylphosphanylpentyl) 1-O-ethyl propanedioate
CID 101262624

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium?
The IUPAC name of 2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium (CID 102474793) is 2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium.
What is the SMILES notation for 2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium?
The canonical SMILES for 2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium is COC(=O)C[P+](CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium?
The InChIKey is QHFDKCNSBHXSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29O2P2/c1-31-29(30)24-33(27-18-10-4-11-19-27,28-20-12-5-13-21-28)23-22-32(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h2-21H,22-24H2,1H3/q+1.
What are the key properties of 2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium?
2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium has a molecular weight of 471.50 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylethyl-(2-methoxy-2-oxoethyl)-diphenylphosphanium is sourced from PubChem (CID 102474793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).