[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate

C20H22O8 — CID 7628154

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)c2cc(OC)c(OC)cc2OC)c1
InChIInChI=1S/C20H22O8/c1-23-12-6-7-16(24-2)13(8-12)15(21)11-28-20(22)14-9-18(26-4)19(27-5)10-17(14)25-3/h6-10H,11H2,1-5H3
InChIKeyFAQUGBZWLXORLE-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.77
Rot. Bonds9

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate (PubChem CID 7628154) has the molecular formula C20H22O8 and a molecular weight of 390.39 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
PubChem CID7628154
Molecular FormulaC20H22O8
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)c2cc(OC)c(OC)cc2OC)c1
InChIInChI=1S/C20H22O8/c1-23-12-6-7-16(24-2)13(8-12)15(21)11-28-20(22)14-9-18(26-4)19(27-5)10-17(14)25-3/h6-10H,11H2,1-5H3
InChIKeyFAQUGBZWLXORLE-UHFFFAOYSA-N
XLogP2.77
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 7875123
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431484
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
CID 2096696
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123261
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7887065
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate
CID 2456748
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2,4,5-trimethoxybenzoate
CID 2699804
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2360410
[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18155883
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 30758901
2-hydroxyethyl 2,5-dimethoxybenzoate
CID 116862870

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate (CID 7628154) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate is COc1ccc(OC)c(C(=O)COC(=O)c2cc(OC)c(OC)cc2OC)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate?
The InChIKey is FAQUGBZWLXORLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O8/c1-23-12-6-7-16(24-2)13(8-12)15(21)11-28-20(22)14-9-18(26-4)19(27-5)10-17(14)25-3/h6-10H,11H2,1-5H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate has a molecular weight of 390.39 g/mol, XLogP of 2.77, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate is sourced from PubChem (CID 7628154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).