4-[bis(diethylamino)phosphoryloxy]benzaldehyde

C15H25N2O3P — CID 59365470

IUPAC4-[bis(diethylamino)phosphoryloxy]benzaldehyde
SMILESCCN(CC)P(=O)(Oc1ccc(C=O)cc1)N(CC)CC
InChIInChI=1S/C15H25N2O3P/c1-5-16(6-2)21(19,17(7-3)8-4)20-15-11-9-14(13-18)10-12-15/h9-13H,5-8H2,1-4H3
InChIKeyXOQLPLZQHGYGRG-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.67
Rot. Bonds9

About 4-[bis(diethylamino)phosphoryloxy]benzaldehyde

4-[bis(diethylamino)phosphoryloxy]benzaldehyde (PubChem CID 59365470) has the molecular formula C15H25N2O3P and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-[bis(diethylamino)phosphoryloxy]benzaldehyde.

Molecular Properties

Compound Name4-[bis(diethylamino)phosphoryloxy]benzaldehyde
PubChem CID59365470
Molecular FormulaC15H25N2O3P
Molecular Weight312.35 g/mol
Exact Mass312.16
IUPAC Name4-[bis(diethylamino)phosphoryloxy]benzaldehyde
SMILESCCN(CC)P(=O)(Oc1ccc(C=O)cc1)N(CC)CC
InChIInChI=1S/C15H25N2O3P/c1-5-16(6-2)21(19,17(7-3)8-4)20-15-11-9-14(13-18)10-12-15/h9-13H,5-8H2,1-4H3
InChIKeyXOQLPLZQHGYGRG-UHFFFAOYSA-N
XLogP3.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl (4-formylphenyl) phosphate
CID 10539111
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-(4-ethoxy-N-methylanilino)benzaldehyde
CID 12657169
N-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine
CID 102152569
4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
CID 58214212
ethane;4-phosphanyloxybenzaldehyde
CID 91463332
4-[1-(4-formylphenoxy)butoxy]benzaldehyde
CID 87311039
4-icosoxybenzaldehyde
CID 23127488
4-[(1R)-1-amino-1-diethoxyphosphorylethoxy]benzaldehyde
CID 171191870
4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
CID 123717319
4-aminooxybenzaldehyde;propanamide
CID 175549934
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517

Frequently Asked Questions

What is the IUPAC name of 4-[bis(diethylamino)phosphoryloxy]benzaldehyde?
The IUPAC name of 4-[bis(diethylamino)phosphoryloxy]benzaldehyde (CID 59365470) is 4-[bis(diethylamino)phosphoryloxy]benzaldehyde.
What is the SMILES notation for 4-[bis(diethylamino)phosphoryloxy]benzaldehyde?
The canonical SMILES for 4-[bis(diethylamino)phosphoryloxy]benzaldehyde is CCN(CC)P(=O)(Oc1ccc(C=O)cc1)N(CC)CC.
What is the InChIKey of 4-[bis(diethylamino)phosphoryloxy]benzaldehyde?
The InChIKey is XOQLPLZQHGYGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N2O3P/c1-5-16(6-2)21(19,17(7-3)8-4)20-15-11-9-14(13-18)10-12-15/h9-13H,5-8H2,1-4H3.
What are the key properties of 4-[bis(diethylamino)phosphoryloxy]benzaldehyde?
4-[bis(diethylamino)phosphoryloxy]benzaldehyde has a molecular weight of 312.35 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(diethylamino)phosphoryloxy]benzaldehyde is sourced from PubChem (CID 59365470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).