2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate

C20H24O5 — CID 55314701

IUPAC2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate
SMILESCCc1cccc(OCCOC(=O)Cc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H24O5/c1-4-15-6-5-7-17(12-15)24-10-11-25-20(21)14-16-8-9-18(22-2)19(13-16)23-3/h5-9,12-13H,4,10-11,14H2,1-3H3
InChIKeyTZQLAJCAYRSLES-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.43
Rot. Bonds9

About 2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate

2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate (PubChem CID 55314701) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate
PubChem CID55314701
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate
SMILESCCc1cccc(OCCOC(=O)Cc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H24O5/c1-4-15-6-5-7-17(12-15)24-10-11-25-20(21)14-16-8-9-18(22-2)19(13-16)23-3/h5-9,12-13H,4,10-11,14H2,1-3H3
InChIKeyTZQLAJCAYRSLES-UHFFFAOYSA-N
XLogP3.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 134231770
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 29349192
4-(3-ethylphenoxy)butanamide
CID 82040637
4-O-[2-(3-ethylphenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308189
2-(3,4-dimethoxyphenyl)-N-[2-(3-ethoxyphenoxy)ethyl]acetamide
CID 113100610
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
propyl 2-(3-ethylphenoxy)acetate
CID 71628037
2-(3-ethylphenoxy)ethyl 2-(2-fluorophenoxy)acetate
CID 55316441
2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate
CID 55338836
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate
CID 55318473
methyl 2-[3-(2-hydroxyethoxy)phenyl]acetate
CID 134821202

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate?
The IUPAC name of 2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate (CID 55314701) is 2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate.
What is the SMILES notation for 2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate?
The canonical SMILES for 2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate is CCc1cccc(OCCOC(=O)Cc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate?
The InChIKey is TZQLAJCAYRSLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-4-15-6-5-7-17(12-15)24-10-11-25-20(21)14-16-8-9-18(22-2)19(13-16)23-3/h5-9,12-13H,4,10-11,14H2,1-3H3.
What are the key properties of 2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate?
2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate has a molecular weight of 344.41 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)ethyl 2-(3,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 55314701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).