[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate

C19H20O6 — CID 7628495

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)COc2ccccc2C)c1
InChIInChI=1S/C19H20O6/c1-13-6-4-5-7-17(13)24-12-19(21)25-11-16(20)15-10-14(22-2)8-9-18(15)23-3/h4-10H,11-12H2,1-3H3
InChIKeyDHWOLHOVUAKANB-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.82
Rot. Bonds8

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate (PubChem CID 7628495) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
PubChem CID7628495
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)COc2ccccc2C)c1
InChIInChI=1S/C19H20O6/c1-13-6-4-5-7-17(13)24-12-19(21)25-11-16(20)15-10-14(22-2)8-9-18(15)23-3/h4-10H,11-12H2,1-3H3
InChIKeyDHWOLHOVUAKANB-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 23988457
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7628185
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701600
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318517
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842228
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431484
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 23964948
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate
CID 23988615
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
CID 2096696
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2096449

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate (CID 7628495) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate is COc1ccc(OC)c(C(=O)COC(=O)COc2ccccc2C)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is DHWOLHOVUAKANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-13-6-4-5-7-17(13)24-12-19(21)25-11-16(20)15-10-14(22-2)8-9-18(15)23-3/h4-10H,11-12H2,1-3H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 344.36 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 7628495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).