ethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate

C18H21O5P — CID 69347540

IUPACethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate
SMILESCCOP(=O)(O)Oc1ccccc1C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H21O5P/c1-5-22-24(20,21)23-16-9-7-6-8-15(16)18(19)17-13(3)10-12(2)11-14(17)4/h6-11H,5H2,1-4H3,(H,20,21)
InChIKeyJKVARUSRBKZGGY-UHFFFAOYSA-N
MW348.34 g/mol
LogP4.36
Rot. Bonds6

About ethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate

ethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate (PubChem CID 69347540) has the molecular formula C18H21O5P and a molecular weight of 348.34 g/mol. Its IUPAC name is ethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate.

Molecular Properties

Compound Nameethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate
PubChem CID69347540
Molecular FormulaC18H21O5P
Molecular Weight348.34 g/mol
Exact Mass348.11
IUPAC Nameethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate
SMILESCCOP(=O)(O)Oc1ccccc1C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H21O5P/c1-5-22-24(20,21)23-16-9-7-6-8-15(16)18(19)17-13(3)10-12(2)11-14(17)4/h6-11H,5H2,1-4H3,(H,20,21)
InChIKeyJKVARUSRBKZGGY-UHFFFAOYSA-N
XLogP4.36
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 161461233
oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 174367673
[2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone
CID 158862858
sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate
CID 146418297
lithium;hydride;(2-phosphanylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 173243819
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
(2,6-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722767
(2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
CID 173245685
2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 82092903
[2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
CID 172735368
(2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone
CID 66682263
[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 ethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate?
The IUPAC name of ethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate (CID 69347540) is ethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate.
What is the SMILES notation for ethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate?
The canonical SMILES for ethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate is CCOP(=O)(O)Oc1ccccc1C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of ethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate?
The InChIKey is JKVARUSRBKZGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O5P/c1-5-22-24(20,21)23-16-9-7-6-8-15(16)18(19)17-13(3)10-12(2)11-14(17)4/h6-11H,5H2,1-4H3,(H,20,21).
What are the key properties of ethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate?
ethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate has a molecular weight of 348.34 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate is sourced from PubChem (CID 69347540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).