1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone

C17H19O2P — CID 141198193

IUPAC1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone
SMILESCC(=O)P(=O)(c1ccccc1)c1ccc(C)c(C)c1C
InChIInChI=1S/C17H19O2P/c1-12-10-11-17(14(3)13(12)2)20(19,15(4)18)16-8-6-5-7-9-16/h5-11H,1-4H3
InChIKeyKJOIQBFIUWZARO-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.47
Rot. Bonds3

About 1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone

1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone (PubChem CID 141198193) has the molecular formula C17H19O2P and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone.

Molecular Properties

Compound Name1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone
PubChem CID141198193
Molecular FormulaC17H19O2P
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone
SMILESCC(=O)P(=O)(c1ccccc1)c1ccc(C)c(C)c1C
InChIInChI=1S/C17H19O2P/c1-12-10-11-17(14(3)13(12)2)20(19,15(4)18)16-8-6-5-7-9-16/h5-11H,1-4H3
InChIKeyKJOIQBFIUWZARO-UHFFFAOYSA-N
XLogP3.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.47
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

tetrakis(benzoyl-(2,3,4-trimethylphenyl)phosphinate);titanium(4+)
CID 140650949
phenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone
CID 141015886
2-(3-diphenylphosphorylcarbonyl-2,4-dimethylphenoxy)acetic acid
CID 155081855
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
phenyl-(2,3,6-trimethylphenyl)methanone
CID 14151231
[(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
CID 18400333
(3,5-diethyl-2,4,6-trimethylphenyl)-diphenylphosphorylmethanone
CID 142409152
1-(1-diphenylphosphorylethenyl)-2-methylbenzene
CID 135086687
(2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone
CID 22639267
propanoic acid;1,2,3,4-tetramethylbenzene
CID 23621081
[(5-benzyl-2,3,4-trimethylphenyl)-phenylphosphoryl]-phenylmethanone
CID 140551134
(2-chloro-6-methylphenyl)-diphenylphosphorylmethanethione
CID 54557608

Frequently Asked Questions

What is the IUPAC name of 1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone?
The IUPAC name of 1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone (CID 141198193) is 1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone.
What is the SMILES notation for 1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone?
The canonical SMILES for 1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone is CC(=O)P(=O)(c1ccccc1)c1ccc(C)c(C)c1C.
What is the InChIKey of 1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone?
The InChIKey is KJOIQBFIUWZARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O2P/c1-12-10-11-17(14(3)13(12)2)20(19,15(4)18)16-8-6-5-7-9-16/h5-11H,1-4H3.
What are the key properties of 1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone?
1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone has a molecular weight of 286.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[phenyl-(2,3,4-trimethylphenyl)phosphoryl]ethanone is sourced from PubChem (CID 141198193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).