5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene

C26H34O7 — CID 68981204

IUPAC5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene
SMILESCOCOc1c(OC)cc(C=Cc2ccc(CC=C(C)C)c(OC(OC)OC)c2)cc1OC
InChIInChI=1S/C26H34O7/c1-18(2)8-12-21-13-11-19(14-22(21)33-26(30-6)31-7)9-10-20-15-23(28-4)25(32-17-27-3)24(16-20)29-5/h8-11,13-16,26H,12,17H2,1-7H3
InChIKeyICANDWRUMVFPGB-UHFFFAOYSA-N
MW458.55 g/mol
LogP5.32
Rot. Bonds13

About 5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene

5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene (PubChem CID 68981204) has the molecular formula C26H34O7 and a molecular weight of 458.55 g/mol. Its IUPAC name is 5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene.

Molecular Properties

Compound Name5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene
PubChem CID68981204
Molecular FormulaC26H34O7
Molecular Weight458.55 g/mol
Exact Mass458.23
IUPAC Name5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene
SMILESCOCOc1c(OC)cc(C=Cc2ccc(CC=C(C)C)c(OC(OC)OC)c2)cc1OC
InChIInChI=1S/C26H34O7/c1-18(2)8-12-21-13-11-19(14-22(21)33-26(30-6)31-7)9-10-20-15-23(28-4)25(32-17-27-3)24(16-20)29-5/h8-11,13-16,26H,12,17H2,1-7H3
InChIKeyICANDWRUMVFPGB-UHFFFAOYSA-N
XLogP5.32
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.55
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene?
The IUPAC name of 5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene (CID 68981204) is 5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene.
What is the SMILES notation for 5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene?
The canonical SMILES for 5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene is COCOc1c(OC)cc(C=Cc2ccc(CC=C(C)C)c(OC(OC)OC)c2)cc1OC.
What is the InChIKey of 5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene?
The InChIKey is ICANDWRUMVFPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O7/c1-18(2)8-12-21-13-11-19(14-22(21)33-26(30-6)31-7)9-10-20-15-23(28-4)25(32-17-27-3)24(16-20)29-5/h8-11,13-16,26H,12,17H2,1-7H3.
What are the key properties of 5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene?
5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene has a molecular weight of 458.55 g/mol, XLogP of 5.32, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(dimethoxymethoxy)-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,3-dimethoxy-2-(methoxymethoxy)benzene is sourced from PubChem (CID 68981204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).