methyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane

C20H25O3P — CID 157104777

IUPACmethyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane
SMILESCOC(=O)C(C(=O)c1c(C)cc(C)c(C)c1C)c1ccccc1.P
InChIInChI=1S/C20H22O3.H3P/c1-12-11-13(2)17(15(4)14(12)3)19(21)18(20(22)23-5)16-9-7-6-8-10-16;/h6-11,18H,1-5H3;1H3
InChIKeyAGEGGNRUFUJQRU-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.12
Rot. Bonds4

About methyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane

methyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane (PubChem CID 157104777) has the molecular formula C20H25O3P and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane.

Molecular Properties

Compound Namemethyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane
PubChem CID157104777
Molecular FormulaC20H25O3P
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Namemethyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane
SMILESCOC(=O)C(C(=O)c1c(C)cc(C)c(C)c1C)c1ccccc1.P
InChIInChI=1S/C20H22O3.H3P/c1-12-11-13(2)17(15(4)14(12)3)19(21)18(20(22)23-5)16-9-7-6-8-10-16;/h6-11,18H,1-5H3;1H3
InChIKeyAGEGGNRUFUJQRU-UHFFFAOYSA-N
XLogP4.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze methyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxyethyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propaneperoxoate;oxophosphanium
CID 173245862
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
methyl 3-chloro-3-oxo-2-phenylpropanoate
CID 12726479
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
CID 162406371
ethyl 3-(2,6-dimethoxyphenyl)-3-oxo-2-phenylpropanoate;oxophosphanium
CID 159475443
2-methylpropyl 3-(2,6-dimethylphenyl)-3-oxo-2-phenylpropanoate
CID 18515031
tert-butyl 3-oxo-2-phenyl-3-(2,4,6-trimethylphenyl)propanoate;oxophosphanium
CID 158574727
2,4,4-trimethylpentyl 3-(4-tert-butyl-2,6-dimethylphenyl)-3-oxo-2-phenylpropanoate
CID 18515291
hexyl 3-oxo-2-phenyl-3-(2,4,6-trimethylphenyl)propanoate;oxophosphanium
CID 161128894
butyl 3-(4-tert-butyl-2,6-dimethylphenyl)-3-oxo-2-phenylpropanoate;oxophosphanium
CID 160851565
dodecyl 3-(4-tert-butyl-2,6-dimethylphenyl)-3-oxo-2-phenylpropanoate
CID 18513978
oxophosphanium;2,4,4-trimethylpentyl 3-oxo-2-phenyl-3-(2,4,6-trimethylphenyl)propanoate
CID 161323163

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane?
The IUPAC name of methyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane (CID 157104777) is methyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane.
What is the SMILES notation for methyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane?
The canonical SMILES for methyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane is COC(=O)C(C(=O)c1c(C)cc(C)c(C)c1C)c1ccccc1.P.
What is the InChIKey of methyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane?
The InChIKey is AGEGGNRUFUJQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3.H3P/c1-12-11-13(2)17(15(4)14(12)3)19(21)18(20(22)23-5)16-9-7-6-8-10-16;/h6-11,18H,1-5H3;1H3.
What are the key properties of methyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane?
methyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane has a molecular weight of 344.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-2-phenyl-3-(2,3,4,6-tetramethylphenyl)propanoate;phosphane is sourced from PubChem (CID 157104777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).