ethyl 2-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetate

C22H26O7 — CID 155515550

IUPACethyl 2-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetate
SMILESC=C(c1ccc(OC)c(OCC(=O)OCC)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H26O7/c1-7-28-21(23)13-29-18-10-15(8-9-17(18)24-3)14(2)16-11-19(25-4)22(27-6)20(12-16)26-5/h8-12H,2,7,13H2,1,3-6H3
InChIKeyRAWXFWNCZZFPEM-UHFFFAOYSA-N
MW402.44 g/mol
LogP3.72
Rot. Bonds10

About ethyl 2-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetate

ethyl 2-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetate (PubChem CID 155515550) has the molecular formula C22H26O7 and a molecular weight of 402.44 g/mol. Its IUPAC name is ethyl 2-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetate
PubChem CID155515550
Molecular FormulaC22H26O7
Molecular Weight402.44 g/mol
Exact Mass402.17
IUPAC Nameethyl 2-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetate
SMILESC=C(c1ccc(OC)c(OCC(=O)OCC)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H26O7/c1-7-28-21(23)13-29-18-10-15(8-9-17(18)24-3)14(2)16-11-19(25-4)22(27-6)20(12-16)26-5/h8-12H,2,7,13H2,1,3-6H3
InChIKeyRAWXFWNCZZFPEM-UHFFFAOYSA-N
XLogP3.72
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetate (CID 155515550) is ethyl 2-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetate is C=C(c1ccc(OC)c(OCC(=O)OCC)c1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl 2-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetate?
The InChIKey is RAWXFWNCZZFPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O7/c1-7-28-21(23)13-29-18-10-15(8-9-17(18)24-3)14(2)16-11-19(25-4)22(27-6)20(12-16)26-5/h8-12H,2,7,13H2,1,3-6H3.
What are the key properties of ethyl 2-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetate?
ethyl 2-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetate has a molecular weight of 402.44 g/mol, XLogP of 3.72, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetate is sourced from PubChem (CID 155515550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).