2-methoxyethyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate

C20H22O6 — CID 17170795

IUPAC2-methoxyethyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate
SMILESCOCCOC(=O)c1cccc(OC(=O)COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C20H22O6/c1-14-9-15(2)11-18(10-14)25-13-19(21)26-17-6-4-5-16(12-17)20(22)24-8-7-23-3/h4-6,9-12H,7-8,13H2,1-3H3
InChIKeyGVMWARXYQAMZKR-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.09
Rot. Bonds8

About 2-methoxyethyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate

2-methoxyethyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate (PubChem CID 17170795) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-methoxyethyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate.

Molecular Properties

Compound Name2-methoxyethyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate
PubChem CID17170795
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name2-methoxyethyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate
SMILESCOCCOC(=O)c1cccc(OC(=O)COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C20H22O6/c1-14-9-15(2)11-18(10-14)25-13-19(21)26-17-6-4-5-16(12-17)20(22)24-8-7-23-3/h4-6,9-12H,7-8,13H2,1-3H3
InChIKeyGVMWARXYQAMZKR-UHFFFAOYSA-N
XLogP3.09
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

3-phenylpropyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate
CID 17161381
2-methoxyethyl 3-[2-(2-bromo-4-methylphenoxy)acetyl]oxybenzoate
CID 17170832
2-methoxyethyl 3-[2-(4-bromo-2-methylphenoxy)acetyl]oxybenzoate
CID 17170843
(3,5-dimethylphenyl) 2-(3-methylphenoxy)acetate
CID 19167596
2-phenylethyl 3-[2-(3,4-dimethylphenoxy)acetyl]oxybenzoate
CID 17162272
2-phenoxyethyl 3-[2-(4-chlorophenoxy)acetyl]oxybenzoate
CID 17161814
methyl 3-[2-(3,4-dimethylphenoxy)acetyl]oxybenzoate
CID 8840234
2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550
2-(3-methylphenoxy)ethyl 3-(methoxymethyl)benzoate
CID 55386133
3-phenylpropyl 3-[2-(4-bromophenoxy)acetyl]oxybenzoate
CID 17161422
(3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate
CID 8753296
methyl 3-[2-(4-propanoylphenoxy)acetyl]oxybenzoate
CID 7751823

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate?
The IUPAC name of 2-methoxyethyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate (CID 17170795) is 2-methoxyethyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate.
What is the SMILES notation for 2-methoxyethyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate?
The canonical SMILES for 2-methoxyethyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate is COCCOC(=O)c1cccc(OC(=O)COc2cc(C)cc(C)c2)c1.
What is the InChIKey of 2-methoxyethyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate?
The InChIKey is GVMWARXYQAMZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O6/c1-14-9-15(2)11-18(10-14)25-13-19(21)26-17-6-4-5-16(12-17)20(22)24-8-7-23-3/h4-6,9-12H,7-8,13H2,1-3H3.
What are the key properties of 2-methoxyethyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate?
2-methoxyethyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate has a molecular weight of 358.39 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoate is sourced from PubChem (CID 17170795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).