[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate

C22H26O6 — CID 8610653

IUPAC[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)c2c(C)cc(C)c(C)c2C)c(OC)c1OC
InChIInChI=1S/C22H26O6/c1-12-10-13(2)19(15(4)14(12)3)17(23)11-28-22(24)16-8-9-18(25-5)21(27-7)20(16)26-6/h8-10H,11H2,1-7H3
InChIKeyQEAROOYXRYLGEP-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.99
Rot. Bonds7

About [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate

[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate (PubChem CID 8610653) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate
PubChem CID8610653
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)c2c(C)cc(C)c(C)c2C)c(OC)c1OC
InChIInChI=1S/C22H26O6/c1-12-10-13(2)19(15(4)14(12)3)17(23)11-28-22(24)16-8-9-18(25-5)21(27-7)20(16)26-6/h8-10H,11H2,1-7H3
InChIKeyQEAROOYXRYLGEP-UHFFFAOYSA-N
XLogP3.99
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7890570
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 23990915
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2116726
[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 7758400
[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2659436
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344
2-[2-[2-[2-(2,3,4-trimethoxybenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2,3,4-trimethoxybenzoate
CID 139804932
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2,3-dimethoxybenzoate
CID 2358791
[2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 7758376
methyl 2,3,4-trimethoxybenzenecarboperoxoate
CID 173266032
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 9197908

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate?
The IUPAC name of [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate (CID 8610653) is [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate?
The canonical SMILES for [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate is COc1ccc(C(=O)OCC(=O)c2c(C)cc(C)c(C)c2C)c(OC)c1OC.
What is the InChIKey of [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate?
The InChIKey is QEAROOYXRYLGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-12-10-13(2)19(15(4)14(12)3)17(23)11-28-22(24)16-8-9-18(25-5)21(27-7)20(16)26-6/h8-10H,11H2,1-7H3.
What are the key properties of [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate?
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate has a molecular weight of 386.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate is sourced from PubChem (CID 8610653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).