2-deuterio-3-diphenylphosphanyl-3-phenylpropanal

C21H19OP — CID 139228240

IUPAC2-deuterio-3-diphenylphosphanyl-3-phenylpropanal
SMILES[2H]C(C=O)C(c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19OP/c22-17-16-21(18-10-4-1-5-11-18)23(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17,21H,16H2/i16D
InChIKeyFBWLAJAOUFVTNA-QNLPYAOMSA-N
MW319.36 g/mol
LogP4.45
Rot. Bonds6

About 2-deuterio-3-diphenylphosphanyl-3-phenylpropanal

2-deuterio-3-diphenylphosphanyl-3-phenylpropanal (PubChem CID 139228240) has the molecular formula C21H19OP and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-deuterio-3-diphenylphosphanyl-3-phenylpropanal.

Molecular Properties

Compound Name2-deuterio-3-diphenylphosphanyl-3-phenylpropanal
PubChem CID139228240
Molecular FormulaC21H19OP
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name2-deuterio-3-diphenylphosphanyl-3-phenylpropanal
SMILES[2H]C(C=O)C(c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19OP/c22-17-16-21(18-10-4-1-5-11-18)23(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17,21H,16H2/i16D
InChIKeyFBWLAJAOUFVTNA-QNLPYAOMSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-diphenylphosphanyl-3-phenylpropanoic acid
CID 11759426
[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane
CID 11967243
(3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane
CID 141367967
[(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane
CID 134976469
2-diphenylphosphanylpentanedial
CID 175284088
benzyl (3S)-3-diphenylphosphanyl-3-phenylpropanoate
CID 101153060
3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol
CID 139228235
diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane
CID 10898452
1-diphenylphosphanylethane-1,2-diamine
CID 70150427
1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane
CID 135850349
bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+)
CID 11967242
(3R)-3-phenylbutanal
CID 10877278

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-3-diphenylphosphanyl-3-phenylpropanal?
The IUPAC name of 2-deuterio-3-diphenylphosphanyl-3-phenylpropanal (CID 139228240) is 2-deuterio-3-diphenylphosphanyl-3-phenylpropanal.
What is the SMILES notation for 2-deuterio-3-diphenylphosphanyl-3-phenylpropanal?
The canonical SMILES for 2-deuterio-3-diphenylphosphanyl-3-phenylpropanal is [2H]C(C=O)C(c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-deuterio-3-diphenylphosphanyl-3-phenylpropanal?
The InChIKey is FBWLAJAOUFVTNA-QNLPYAOMSA-N. The full InChI is InChI=1S/C21H19OP/c22-17-16-21(18-10-4-1-5-11-18)23(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17,21H,16H2/i16D.
What are the key properties of 2-deuterio-3-diphenylphosphanyl-3-phenylpropanal?
2-deuterio-3-diphenylphosphanyl-3-phenylpropanal has a molecular weight of 319.36 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-3-diphenylphosphanyl-3-phenylpropanal is sourced from PubChem (CID 139228240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).