[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate

C25H25NO8 — CID 77450683

IUPAC[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESCOc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C25H25NO8/c1-30-18-8-7-16(5-6-17-14-20(31-2)25(33-4)21(15-17)32-3)13-19(18)34-24(29)11-12-26-22(27)9-10-23(26)28/h5-10,13-15H,11-12H2,1-4H3
InChIKeyWELXSSAIVSHVCI-UHFFFAOYSA-N
MW467.47 g/mol
LogP3.11
Rot. Bonds10

About [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate

[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate (PubChem CID 77450683) has the molecular formula C25H25NO8 and a molecular weight of 467.47 g/mol. Its IUPAC name is [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate.

Molecular Properties

Compound Name[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate
PubChem CID77450683
Molecular FormulaC25H25NO8
Molecular Weight467.47 g/mol
Exact Mass467.16
IUPAC Name[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESCOc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C25H25NO8/c1-30-18-8-7-16(5-6-17-14-20(31-2)25(33-4)21(15-17)32-3)13-19(18)34-24(29)11-12-26-22(27)9-10-23(26)28/h5-10,13-15H,11-12H2,1-4H3
InChIKeyWELXSSAIVSHVCI-UHFFFAOYSA-N
XLogP3.11
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate 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

methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate
CID 20742908
2-amino-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-4-oxobutanoic acid;hydrochloride
CID 5467055
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 4-[3-(4-amino-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]butanoate
CID 170453172
[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 9H-fluorene-9-carboxylate
CID 58864023
[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] N-butyl-N-[2-[[4-[(2,5-dioxopyrrol-1-yl)methylamino]-2-methyl-4-oxobutan-2-yl]disulfanyl]ethyl]carbamate
CID 58583020
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine
CID 11341288
(2S)-3-hydroxy-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]propanamide
CID 10203538
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
[(2S)-3-hydroxy-1-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-oxopropan-2-yl]azanium chloride
CID 135019706
2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 139943086

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate?
The IUPAC name of [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate (CID 77450683) is [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate.
What is the SMILES notation for [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate?
The canonical SMILES for [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate is COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate?
The InChIKey is WELXSSAIVSHVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO8/c1-30-18-8-7-16(5-6-17-14-20(31-2)25(33-4)21(15-17)32-3)13-19(18)34-24(29)11-12-26-22(27)9-10-23(26)28/h5-10,13-15H,11-12H2,1-4H3.
What are the key properties of [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate?
[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate has a molecular weight of 467.47 g/mol, XLogP of 3.11, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 3-(2,5-dioxopyrrol-1-yl)propanoate is sourced from PubChem (CID 77450683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).