ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate

C15H24O6 — CID 144536056

IUPACethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate
SMILESCC.CCOC(=O)COc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C13H18O6.C2H6/c1-5-18-11(14)8-19-10-7-6-9(15-2)12(16-3)13(10)17-4;1-2/h6-7H,5,8H2,1-4H3;1-2H3
InChIKeyXGBBXDSKPAQIOU-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.68
Rot. Bonds7

About ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate

ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate (PubChem CID 144536056) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate.

Molecular Properties

Compound Nameethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate
PubChem CID144536056
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Nameethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate
SMILESCC.CCOC(=O)COc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C13H18O6.C2H6/c1-5-18-11(14)8-19-10-7-6-9(15-2)12(16-3)13(10)17-4;1-2/h6-7H,5,8H2,1-4H3;1-2H3
InChIKeyXGBBXDSKPAQIOU-UHFFFAOYSA-N
XLogP2.68
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
ethyl 3-oxo-3-(2,3,4-trimethoxyphenyl)propanoate
CID 21243225
ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate
CID 22485514
ethyl 2-[6-bromo-3-(difluoromethoxy)-2-methoxyphenoxy]acetate
CID 67465860
ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate
CID 144536169
ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate
CID 60816133
ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate
CID 67464918
ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate
CID 60906795
2-ethoxy-3,4-dimethoxybenzamide
CID 141309813
ethyl 2-(2-hydroxy-4-methylphenoxy)acetate
CID 67510779
2,3-bis(2-ethoxy-2-oxoethoxy)benzoic acid
CID 18471117
methyl 2-(2-butoxy-2-oxoethoxy)-3,4-dimethoxybenzoate
CID 69042998

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate?
The IUPAC name of ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate (CID 144536056) is ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate.
What is the SMILES notation for ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate?
The canonical SMILES for ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate is CC.CCOC(=O)COc1ccc(OC)c(OC)c1OC.
What is the InChIKey of ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate?
The InChIKey is XGBBXDSKPAQIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6.C2H6/c1-5-18-11(14)8-19-10-7-6-9(15-2)12(16-3)13(10)17-4;1-2/h6-7H,5,8H2,1-4H3;1-2H3.
What are the key properties of ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate?
ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate has a molecular weight of 300.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-(2,3,4-trimethoxyphenoxy)acetate is sourced from PubChem (CID 144536056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).