[(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone

C20H23O2P — CID 134261084

IUPAC[(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone
SMILESCCP(C(=O)c1c(C)cccc1C)C(=O)c1c(C)cccc1C
InChIInChI=1S/C20H23O2P/c1-6-23(19(21)17-13(2)9-7-10-14(17)3)20(22)18-15(4)11-8-12-16(18)5/h7-12H,6H2,1-5H3
InChIKeyJZINRJMDYKTWQD-UHFFFAOYSA-N
MW326.38 g/mol
LogP5.40
Rot. Bonds5

About [(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone

[(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone (PubChem CID 134261084) has the molecular formula C20H23O2P and a molecular weight of 326.38 g/mol. Its IUPAC name is [(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name[(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone
PubChem CID134261084
Molecular FormulaC20H23O2P
Molecular Weight326.38 g/mol
Exact Mass326.14
IUPAC Name[(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone
SMILESCCP(C(=O)c1c(C)cccc1C)C(=O)c1c(C)cccc1C
InChIInChI=1S/C20H23O2P/c1-6-23(19(21)17-13(2)9-7-10-14(17)3)20(22)18-15(4)11-8-12-16(18)5/h7-12H,6H2,1-5H3
InChIKeyJZINRJMDYKTWQD-UHFFFAOYSA-N
XLogP5.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.38
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2,6-dimethylbenzoate
CID 520807
2,6-dimethylbenzoyl iodide
CID 87941795
2,6-dimethylbenzoyl fluoride
CID 23235034
2,6-dimethylbenzenecarbothioic S-acid
CID 91881639
ethyl 2-(2,6-dimethylphenyl)-2-oxoacetate
CID 24722257
2-bromo-1-(2,6-dimethylphenyl)ethanone
CID 14972767
[ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium
CID 160631618
[(2,6-dimethylbenzoyl)-(2,4-dipentylphenyl)phosphanyl]-(2,6-dimethylphenyl)methanone
CID 174970752
1-(2-methyl-6-sulfanylphenyl)propan-1-one
CID 130776654
carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium
CID 159397931
1-(2,6-dimethylphenyl)nonan-1-one
CID 114026790
diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 161445922

Frequently Asked Questions

What is the IUPAC name of [(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone?
The IUPAC name of [(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone (CID 134261084) is [(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone.
What is the SMILES notation for [(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone?
The canonical SMILES for [(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone is CCP(C(=O)c1c(C)cccc1C)C(=O)c1c(C)cccc1C.
What is the InChIKey of [(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone?
The InChIKey is JZINRJMDYKTWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23O2P/c1-6-23(19(21)17-13(2)9-7-10-14(17)3)20(22)18-15(4)11-8-12-16(18)5/h7-12H,6H2,1-5H3.
What are the key properties of [(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone?
[(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone has a molecular weight of 326.38 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone is sourced from PubChem (CID 134261084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).