1-(2,6-dimethylphenyl)-2-phenyl-4-phosphorosobutan-1-one

C18H19O2P — CID 70014464

IUPAC1-(2,6-dimethylphenyl)-2-phenyl-4-phosphorosobutan-1-one
SMILESCc1cccc(C)c1C(=O)C(CCP=O)c1ccccc1
InChIInChI=1S/C18H19O2P/c1-13-7-6-8-14(2)17(13)18(19)16(11-12-21-20)15-9-4-3-5-10-15/h3-10,16H,11-12H2,1-2H3
InChIKeyUZBCDWNCJSGFPX-UHFFFAOYSA-N
MW298.32 g/mol
LogP4.95
Rot. Bonds6

About 1-(2,6-dimethylphenyl)-2-phenyl-4-phosphorosobutan-1-one

1-(2,6-dimethylphenyl)-2-phenyl-4-phosphorosobutan-1-one (PubChem CID 70014464) has the molecular formula C18H19O2P and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2-phenyl-4-phosphorosobutan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-2-phenyl-4-phosphorosobutan-1-one
PubChem CID70014464
Molecular FormulaC18H19O2P
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name1-(2,6-dimethylphenyl)-2-phenyl-4-phosphorosobutan-1-one
SMILESCc1cccc(C)c1C(=O)C(CCP=O)c1ccccc1
InChIInChI=1S/C18H19O2P/c1-13-7-6-8-14(2)17(13)18(19)16(11-12-21-20)15-9-4-3-5-10-15/h3-10,16H,11-12H2,1-2H3
InChIKeyUZBCDWNCJSGFPX-UHFFFAOYSA-N
XLogP4.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 54.95
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

1-(2,6-dichlorophenyl)-2-phenyl-4-phosphorosobutan-1-one
CID 70016744
3-(2,6-dimethylphenyl)-3-oxo-2-phenylpropanoic acid
CID 141016753
3-methylbutyl 3-(2,6-dimethylphenyl)-3-oxo-2-phenylpropanoate
CID 18513773
2-methylpropyl 3-(2,6-dimethylphenyl)-3-oxo-2-phenylpropanoate
CID 18515031
2-(3-hydroxy-2-phenylpropanoyl)-3,5-dimethylbenzoic acid
CID 70040052
1-(2,6-difluorophenyl)-2-phenylbutan-1-one
CID 114972889
2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide
CID 63184679
N-(2-methylphenyl)-2-phenylpentanamide
CID 78775166
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
2-methyl-6-(1-phenylethyl)benzoic acid
CID 172685979
4-fluoro-1,2-diphenylbutan-1-one
CID 174928566
2-(4-methylphenyl)-1-phenylpentan-1-one
CID 134967757

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-2-phenyl-4-phosphorosobutan-1-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-2-phenyl-4-phosphorosobutan-1-one (CID 70014464) is 1-(2,6-dimethylphenyl)-2-phenyl-4-phosphorosobutan-1-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-2-phenyl-4-phosphorosobutan-1-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-2-phenyl-4-phosphorosobutan-1-one is Cc1cccc(C)c1C(=O)C(CCP=O)c1ccccc1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-2-phenyl-4-phosphorosobutan-1-one?
The InChIKey is UZBCDWNCJSGFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19O2P/c1-13-7-6-8-14(2)17(13)18(19)16(11-12-21-20)15-9-4-3-5-10-15/h3-10,16H,11-12H2,1-2H3.
What are the key properties of 1-(2,6-dimethylphenyl)-2-phenyl-4-phosphorosobutan-1-one?
1-(2,6-dimethylphenyl)-2-phenyl-4-phosphorosobutan-1-one has a molecular weight of 298.32 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-2-phenyl-4-phosphorosobutan-1-one is sourced from PubChem (CID 70014464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).