1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone

C24H23O3P — CID 140903591

IUPAC1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C24H23O3P/c1-16-15-17(2)23(18(3)22(16)19(4)25)24(26)28(27,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-15H,1-4H3
InChIKeyGAZABGVIGVGMQV-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.97
Rot. Bonds5

About 1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone

1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone (PubChem CID 140903591) has the molecular formula C24H23O3P and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone
PubChem CID140903591
Molecular FormulaC24H23O3P
Molecular Weight390.42 g/mol
Exact Mass390.14
IUPAC Name1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone
SMILESCC(=O)c1c(C)cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C24H23O3P/c1-16-15-17(2)23(18(3)22(16)19(4)25)24(26)28(27,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-15H,1-4H3
InChIKeyGAZABGVIGVGMQV-UHFFFAOYSA-N
XLogP4.97
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone (CID 140903591) is 1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone is CC(=O)c1c(C)cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1C.
What is the InChIKey of 1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone?
The InChIKey is GAZABGVIGVGMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23O3P/c1-16-15-17(2)23(18(3)22(16)19(4)25)24(26)28(27,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-15H,1-4H3.
What are the key properties of 1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone?
1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone has a molecular weight of 390.42 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 140903591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).