[ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

C35H40O6P2 — CID 161461233

IUPAC[ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCCOP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1.COP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C18H21O3P.C17H19O3P/c1-5-21-22(20,16-9-7-6-8-10-16)18(19)17-14(3)11-13(2)12-15(17)4;1-12-10-13(2)16(14(3)11-12)17(18)21(19,20-4)15-8-6-5-7-9-15/h6-12H,5H2,1-4H3;5-11H,1-4H3
InChIKeyWBVLXXAYLKOFEE-UHFFFAOYSA-N
MW618.65 g/mol
LogP8.39
Rot. Bonds9

About [ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

[ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 161461233) has the molecular formula C35H40O6P2 and a molecular weight of 618.65 g/mol. Its IUPAC name is [ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID161461233
Molecular FormulaC35H40O6P2
Molecular Weight618.65 g/mol
Exact Mass618.23
IUPAC Name[ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCCOP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1.COP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C18H21O3P.C17H19O3P/c1-5-21-22(20,16-9-7-6-8-10-16)18(19)17-14(3)11-13(2)12-15(17)4;1-12-10-13(2)16(14(3)11-12)17(18)21(19,20-4)15-8-6-5-7-9-15/h6-12H,5H2,1-4H3;5-11H,1-4H3
InChIKeyWBVLXXAYLKOFEE-UHFFFAOYSA-N
XLogP8.39
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.65
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone
CID 118237088
[ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone
CID 171613029
[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 59630158
[(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 18983511
[(2,4-dimethylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 18983505
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
4-[2-[ethoxy(phenyl)phosphoryl]carbonylbenzoyl]oxybutyl 2-[ethoxy(phenyl)phosphoryl]carbonylbenzoate;[4-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]phenyl]methyl 2,2-dimethylbutanoate
CID 161000292
N-butyl-N'-[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]oxamide
CID 146277873
[cyclohexa-1,5-dien-1-yl(ethoxy)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 174351367
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
CID 21343895

Frequently Asked Questions

What is the IUPAC name of [ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 161461233) is [ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is CCOP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1.COP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1.
What is the InChIKey of [ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is WBVLXXAYLKOFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O3P.C17H19O3P/c1-5-21-22(20,16-9-7-6-8-10-16)18(19)17-14(3)11-13(2)12-15(17)4;1-12-10-13(2)16(14(3)11-12)17(18)21(19,20-4)15-8-6-5-7-9-15/h6-12H,5H2,1-4H3;5-11H,1-4H3.
What are the key properties of [ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
[ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 618.65 g/mol, XLogP of 8.39, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 161461233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).