2-diphenoxyphosphanyl-2-(4-methylphenyl)acetaldehyde

C21H19O3P — CID 101037584

IUPAC2-diphenoxyphosphanyl-2-(4-methylphenyl)acetaldehyde
SMILESCc1ccc(C(C=O)P(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C21H19O3P/c1-17-12-14-18(15-13-17)21(16-22)25(23-19-8-4-2-5-9-19)24-20-10-6-3-7-11-20/h2-16,21H,1H3
InChIKeyBMLPSIFXVFRGLT-UHFFFAOYSA-N
MW350.35 g/mol
LogP5.70
Rot. Bonds7

About 2-diphenoxyphosphanyl-2-(4-methylphenyl)acetaldehyde

2-diphenoxyphosphanyl-2-(4-methylphenyl)acetaldehyde (PubChem CID 101037584) has the molecular formula C21H19O3P and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-diphenoxyphosphanyl-2-(4-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-diphenoxyphosphanyl-2-(4-methylphenyl)acetaldehyde
PubChem CID101037584
Molecular FormulaC21H19O3P
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name2-diphenoxyphosphanyl-2-(4-methylphenyl)acetaldehyde
SMILESCc1ccc(C(C=O)P(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C21H19O3P/c1-17-12-14-18(15-13-17)21(16-22)25(23-19-8-4-2-5-9-19)24-20-10-6-3-7-11-20/h2-16,21H,1H3
InChIKeyBMLPSIFXVFRGLT-UHFFFAOYSA-N
XLogP5.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.35
LogP ≤ 55.70
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

formyl(phenoxy)phosphinous acid
CID 19387428
2-(4-methylphenyl)propanedial
CID 2736930
2,2-bis(4-methylphenyl)acetaldehyde
CID 10867935
3-methyl-2-(4-methylphenoxy)-3-phenylbutanal
CID 88704999
tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
2,4-bis(4-methylphenyl)-1,1,5,5-tetraphenylpentan-3-one
CID 174794118
N-[(R)-(4-methylphenyl)-phenylmethyl]formamide
CID 2119878
diphenoxyphosphoryl-(4-methylphenyl)methanamine
CID 3772373
[(4-methylphenyl)-phenylmethyl] phenyl carbonate
CID 23655369
(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde
CID 130026128
bis(4-formylphenyl) phenyl phosphite
CID 146390093

Frequently Asked Questions

What is the IUPAC name of 2-diphenoxyphosphanyl-2-(4-methylphenyl)acetaldehyde?
The IUPAC name of 2-diphenoxyphosphanyl-2-(4-methylphenyl)acetaldehyde (CID 101037584) is 2-diphenoxyphosphanyl-2-(4-methylphenyl)acetaldehyde.
What is the SMILES notation for 2-diphenoxyphosphanyl-2-(4-methylphenyl)acetaldehyde?
The canonical SMILES for 2-diphenoxyphosphanyl-2-(4-methylphenyl)acetaldehyde is Cc1ccc(C(C=O)P(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of 2-diphenoxyphosphanyl-2-(4-methylphenyl)acetaldehyde?
The InChIKey is BMLPSIFXVFRGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O3P/c1-17-12-14-18(15-13-17)21(16-22)25(23-19-8-4-2-5-9-19)24-20-10-6-3-7-11-20/h2-16,21H,1H3.
What are the key properties of 2-diphenoxyphosphanyl-2-(4-methylphenyl)acetaldehyde?
2-diphenoxyphosphanyl-2-(4-methylphenyl)acetaldehyde has a molecular weight of 350.35 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenoxyphosphanyl-2-(4-methylphenyl)acetaldehyde is sourced from PubChem (CID 101037584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).