2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde

C23H23O2P — CID 118481550

IUPAC2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde
SMILESCc1cc(C)c(C(C=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C23H23O2P/c1-17-14-18(2)23(19(3)15-17)22(16-24)26(25,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,22H,1-3H3
InChIKeyDPNFVLFLBFSJKB-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.87
Rot. Bonds5

About 2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde

2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde (PubChem CID 118481550) has the molecular formula C23H23O2P and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde
PubChem CID118481550
Molecular FormulaC23H23O2P
Molecular Weight362.41 g/mol
Exact Mass362.14
IUPAC Name2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde
SMILESCc1cc(C)c(C(C=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C23H23O2P/c1-17-14-18(2)23(19(3)15-17)22(16-24)26(25,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,22H,1-3H3
InChIKeyDPNFVLFLBFSJKB-UHFFFAOYSA-N
XLogP4.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trimethyl-2-[methyl(phenyl)phosphoryl]benzene
CID 90152256
1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene
CID 100916039
(1S)-N-[tert-butyl(phenyl)phosphoryl]-1-phenyl-1-(2,4,6-trimethylphenyl)methanamine
CID 45379872
2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 116939016
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
2-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 87523505
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82139246
2-anilino-2-(2,4,6-trimethylphenyl)acetic acid
CID 60992437
phenylphosphonic acid;toluene
CID 174457204
diphenylphosphoryl-(4-methylphenyl)methanol
CID 135058741
2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 116908621

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde?
The IUPAC name of 2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde (CID 118481550) is 2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde.
What is the SMILES notation for 2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde?
The canonical SMILES for 2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde is Cc1cc(C)c(C(C=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of 2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde?
The InChIKey is DPNFVLFLBFSJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23O2P/c1-17-14-18(2)23(19(3)15-17)22(16-24)26(25,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,22H,1-3H3.
What are the key properties of 2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde?
2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde has a molecular weight of 362.41 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde is sourced from PubChem (CID 118481550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).