[methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone

C27H37O3P — CID 54544995

IUPAC[methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone
SMILESCCc1cc(CC)c(C(=O)P(C)(=O)C(=O)c2c(CC)cc(CC)cc2CC)c(CC)c1
InChIInChI=1S/C27H37O3P/c1-8-18-14-20(10-3)24(21(11-4)15-18)26(28)31(7,30)27(29)25-22(12-5)16-19(9-2)17-23(25)13-6/h14-17H,8-13H2,1-7H3
InChIKeyZFXBVZBYMRGKMZ-UHFFFAOYSA-N
MW440.56 g/mol
LogP7.03
Rot. Bonds10

About [methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone

[methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone (PubChem CID 54544995) has the molecular formula C27H37O3P and a molecular weight of 440.56 g/mol. Its IUPAC name is [methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone.

Molecular Properties

Compound Name[methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone
PubChem CID54544995
Molecular FormulaC27H37O3P
Molecular Weight440.56 g/mol
Exact Mass440.25
IUPAC Name[methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone
SMILESCCc1cc(CC)c(C(=O)P(C)(=O)C(=O)c2c(CC)cc(CC)cc2CC)c(CC)c1
InChIInChI=1S/C27H37O3P/c1-8-18-14-20(10-3)24(21(11-4)15-18)26(28)31(7,30)27(29)25-22(12-5)16-19(9-2)17-23(25)13-6/h14-17H,8-13H2,1-7H3
InChIKeyZFXBVZBYMRGKMZ-UHFFFAOYSA-N
XLogP7.03
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.56
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-triethylbenzoyl iodide
CID 139959913
1-(2,4,6-triethylphenyl)prop-2-en-1-one
CID 103522560
ethyl 2,4,6-triethylbenzoate
CID 12702183
2,4-diethyl-N,6-dihydroxybenzamide
CID 45094929
3-chloro-1-(2,4,6-triethylphenyl)propan-1-one
CID 104645894
(2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone
CID 107000810
diphenylphosphanyl-(2,4,6-triethylphenyl)methanone
CID 141148656
(2,4,6-triethylphenyl)aluminum(2+)
CID 22768319
S-(2-phenylethyl) 2,4,6-triethylbenzenecarbothioate
CID 605137
(2,5-diethylphenyl)phosphonic acid
CID 22104808
(2,4-diethylphenyl)methanol
CID 21414896
2,4-diethyl-1-fluorobenzene;ethane
CID 143588111

Frequently Asked Questions

What is the IUPAC name of [methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone?
The IUPAC name of [methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone (CID 54544995) is [methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone.
What is the SMILES notation for [methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone?
The canonical SMILES for [methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone is CCc1cc(CC)c(C(=O)P(C)(=O)C(=O)c2c(CC)cc(CC)cc2CC)c(CC)c1.
What is the InChIKey of [methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone?
The InChIKey is ZFXBVZBYMRGKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37O3P/c1-8-18-14-20(10-3)24(21(11-4)15-18)26(28)31(7,30)27(29)25-22(12-5)16-19(9-2)17-23(25)13-6/h14-17H,8-13H2,1-7H3.
What are the key properties of [methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone?
[methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone has a molecular weight of 440.56 g/mol, XLogP of 7.03, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone is sourced from PubChem (CID 54544995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).