methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate

C23H26O9 — CID 20742908

IUPACmethyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate
SMILESCOC(=O)COCC(=O)Oc1cc(/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C23H26O9/c1-26-17-9-8-15(10-18(17)32-22(25)14-31-13-21(24)29-4)6-7-16-11-19(27-2)23(30-5)20(12-16)28-3/h6-12H,13-14H2,1-5H3/b7-6+
InChIKeyMJOYKVNZIRCCSI-VOTSOKGWSA-N
MW446.45 g/mol
LogP2.99
Rot. Bonds11

About methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate

methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate (PubChem CID 20742908) has the molecular formula C23H26O9 and a molecular weight of 446.45 g/mol. Its IUPAC name is methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate
PubChem CID20742908
Molecular FormulaC23H26O9
Molecular Weight446.45 g/mol
Exact Mass446.16
IUPAC Namemethyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate
SMILESCOC(=O)COCC(=O)Oc1cc(/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C23H26O9/c1-26-17-9-8-15(10-18(17)32-22(25)14-31-13-21(24)29-4)6-7-16-11-19(27-2)23(30-5)20(12-16)28-3/h6-12H,13-14H2,1-5H3/b7-6+
InChIKeyMJOYKVNZIRCCSI-VOTSOKGWSA-N
XLogP2.99
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-4-oxobutanoic acid;hydrochloride
CID 5467055
[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 77450683
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
(2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide
CID 10203538
(E)-3-(3,4-dimethoxyphenyl)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197468
2-amino-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521879
2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521859
[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate
CID 58864023
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155816075
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
N-hydroxy-3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 175984016

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate?
The IUPAC name of methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate (CID 20742908) is methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate.
What is the SMILES notation for methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate?
The canonical SMILES for methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate is COC(=O)COCC(=O)Oc1cc(/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1OC.
What is the InChIKey of methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate?
The InChIKey is MJOYKVNZIRCCSI-VOTSOKGWSA-N. The full InChI is InChI=1S/C23H26O9/c1-26-17-9-8-15(10-18(17)32-22(25)14-31-13-21(24)29-4)6-7-16-11-19(27-2)23(30-5)20(12-16)28-3/h6-12H,13-14H2,1-5H3/b7-6+.
What are the key properties of methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate?
methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate has a molecular weight of 446.45 g/mol, XLogP of 2.99, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate is sourced from PubChem (CID 20742908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).