[2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate

C19H20O6 — CID 8023897

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate
SMILESCCOc1ccc(C(=O)COC(=O)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H20O6/c1-4-24-14-7-5-13(6-8-14)17(20)12-25-19(21)16-10-9-15(22-2)11-18(16)23-3/h5-11H,4,12H2,1-3H3
InChIKeyMAKVCABFVVPKLU-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.14
Rot. Bonds8

About [2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate

[2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate (PubChem CID 8023897) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate
PubChem CID8023897
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate
SMILESCCOc1ccc(C(=O)COC(=O)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H20O6/c1-4-24-14-7-5-13(6-8-14)17(20)12-25-19(21)16-10-9-15(22-2)11-18(16)23-3/h5-11H,4,12H2,1-3H3
InChIKeyMAKVCABFVVPKLU-UHFFFAOYSA-N
XLogP3.14
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501210
[2-(4-methoxyphenyl)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 8014248
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
[2-(4-ethoxyphenyl)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 8023796
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate
CID 7760680
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-butoxy-3-methoxybenzoate
CID 42970701
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23993413
(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate
CID 59169198
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7491072
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133589
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7864763
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate
CID 2520644

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate (CID 8023897) is [2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate is CCOc1ccc(C(=O)COC(=O)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate?
The InChIKey is MAKVCABFVVPKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-4-24-14-7-5-13(6-8-14)17(20)12-25-19(21)16-10-9-15(22-2)11-18(16)23-3/h5-11H,4,12H2,1-3H3.
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate?
[2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate has a molecular weight of 344.36 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate is sourced from PubChem (CID 8023897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).