[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate

C19H20O7 — CID 2431484

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C19H20O7/c1-22-12-8-9-15(23-2)13(10-12)14(20)11-26-19(21)18-16(24-3)6-5-7-17(18)25-4/h5-10H,11H2,1-4H3
InChIKeyDJMHVBGXTNGAOA-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.76
Rot. Bonds8

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate (PubChem CID 2431484) has the molecular formula C19H20O7 and a molecular weight of 360.36 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
PubChem CID2431484
Molecular FormulaC19H20O7
Molecular Weight360.36 g/mol
Exact Mass360.12
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C19H20O7/c1-22-12-8-9-15(23-2)13(10-12)14(20)11-26-19(21)18-16(24-3)6-5-7-17(18)25-4/h5-10H,11H2,1-4H3
InChIKeyDJMHVBGXTNGAOA-UHFFFAOYSA-N
XLogP2.76
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7628154
[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] furan-2-carboxylate
CID 2456748
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9065160
[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18155883
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-cyanobenzoate
CID 7488457
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2513375
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7628495
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123261
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7887065

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate (CID 2431484) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate is COc1ccc(OC)c(C(=O)COC(=O)c2c(OC)cccc2OC)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate?
The InChIKey is DJMHVBGXTNGAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O7/c1-22-12-8-9-15(23-2)13(10-12)14(20)11-26-19(21)18-16(24-3)6-5-7-17(18)25-4/h5-10H,11H2,1-4H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate has a molecular weight of 360.36 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate is sourced from PubChem (CID 2431484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).