3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine

C33H32O7 — CID 622983

IUPAC3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)OC(OC)(c3ccc(OC)cc3)C(c3ccc(OC)cc3)O2)cc1
InChIInChI=1S/C33H32O7/c1-34-26-14-6-22(7-15-26)30-31(23-8-16-27(35-2)17-9-23)40-33(38-5,25-12-20-29(37-4)21-13-25)32(39-30)24-10-18-28(36-3)19-11-24/h6-21,32H,1-5H3
InChIKeyWELXPPMNSRKBGH-UHFFFAOYSA-N
MW540.61 g/mol
LogP6.83
Rot. Bonds9

About 3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine

3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine (PubChem CID 622983) has the molecular formula C33H32O7 and a molecular weight of 540.61 g/mol. Its IUPAC name is 3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine.

Molecular Properties

Compound Name3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine
PubChem CID622983
Molecular FormulaC33H32O7
Molecular Weight540.61 g/mol
Exact Mass540.21
IUPAC Name3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)OC(OC)(c3ccc(OC)cc3)C(c3ccc(OC)cc3)O2)cc1
InChIInChI=1S/C33H32O7/c1-34-26-14-6-22(7-15-26)30-31(23-8-16-27(35-2)17-9-23)40-33(38-5,25-12-20-29(37-4)21-13-25)32(39-30)24-10-18-28(36-3)19-11-24/h6-21,32H,1-5H3
InChIKeyWELXPPMNSRKBGH-UHFFFAOYSA-N
XLogP6.83
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.61
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine 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 3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine?
The IUPAC name of 3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine (CID 622983) is 3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine.
What is the SMILES notation for 3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine?
The canonical SMILES for 3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine is COc1ccc(C2=C(c3ccc(OC)cc3)OC(OC)(c3ccc(OC)cc3)C(c3ccc(OC)cc3)O2)cc1.
What is the InChIKey of 3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine?
The InChIKey is WELXPPMNSRKBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32O7/c1-34-26-14-6-22(7-15-26)30-31(23-8-16-27(35-2)17-9-23)40-33(38-5,25-12-20-29(37-4)21-13-25)32(39-30)24-10-18-28(36-3)19-11-24/h6-21,32H,1-5H3.
What are the key properties of 3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine?
3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine has a molecular weight of 540.61 g/mol, XLogP of 6.83, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,3,5,6-tetrakis(4-methoxyphenyl)-2H-1,4-dioxine is sourced from PubChem (CID 622983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).