[ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

C22H27O6P — CID 22183748

IUPAC[ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCCP(=O)(C(=O)c1c(C)cc(C)cc1C)C(=O)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C22H27O6P/c1-8-29(25,21(23)19-14(3)9-13(2)10-15(19)4)22(24)20-17(27-6)11-16(26-5)12-18(20)28-7/h9-12H,8H2,1-7H3
InChIKeySDFPSZXKCFPNAW-UHFFFAOYSA-N
MW418.43 g/mol
LogP5.00
Rot. Bonds8

About [ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

[ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 22183748) has the molecular formula C22H27O6P and a molecular weight of 418.43 g/mol. Its IUPAC name is [ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID22183748
Molecular FormulaC22H27O6P
Molecular Weight418.43 g/mol
Exact Mass418.15
IUPAC Name[ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCCP(=O)(C(=O)c1c(C)cc(C)cc1C)C(=O)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C22H27O6P/c1-8-29(25,21(23)19-14(3)9-13(2)10-15(19)4)22(24)20-17(27-6)11-16(26-5)12-18(20)28-7/h9-12H,8H2,1-7H3
InChIKeySDFPSZXKCFPNAW-UHFFFAOYSA-N
XLogP5.00
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.43
LogP ≤ 55.00
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

[butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone
CID 22183560
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
[butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone
CID 22183668
methyl 4-bis(2,4,6-trimethylbenzoyl)phosphoryl-3-oxobutanoate
CID 66883972
(1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681952
lithium;hydride;(2,4,6-trimethoxyphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
CID 173245955
ethyl 4-bis(2,4,6-trimethylbenzoyl)phosphoryl-3-oxobutanoate
CID 66884379
[benzoyl(ethyl)phosphoryl]-phenylmethanone;[(2,6-dimethoxybenzoyl)-ethylphosphoryl]-(2,6-dimethoxyphenyl)methanone;[(2,6-dimethoxybenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone;1-[(2,6-dimethoxybenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]propan-1-one;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 161355770
[cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183265
2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid
CID 116843073
4-amino-1-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylbutan-1-one
CID 116916392
2-methoxy-N-(2-methoxyethyl)-4,6-dimethylbenzamide
CID 110764934

Frequently Asked Questions

What is the IUPAC name of [ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 22183748) is [ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is CCP(=O)(C(=O)c1c(C)cc(C)cc1C)C(=O)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of [ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is SDFPSZXKCFPNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27O6P/c1-8-29(25,21(23)19-14(3)9-13(2)10-15(19)4)22(24)20-17(27-6)11-16(26-5)12-18(20)28-7/h9-12H,8H2,1-7H3.
What are the key properties of [ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
[ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 418.43 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 22183748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).