3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan

C26H32O6 — CID 171329302

IUPAC3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
SMILESCOc1ccc(C2OCC3C(c4ccc(OCC=C(C)C)c(OC)c4)OCC23)cc1OC
InChIInChI=1S/C26H32O6/c1-16(2)10-11-30-22-9-7-18(13-24(22)29-5)26-20-15-31-25(19(20)14-32-26)17-6-8-21(27-3)23(12-17)28-4/h6-10,12-13,19-20,25-26H,11,14-15H2,1-5H3
InChIKeyVRRDTZZCQTYUBV-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.13
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan

3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan (PubChem CID 171329302) has the molecular formula C26H32O6 and a molecular weight of 440.54 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
PubChem CID171329302
Molecular FormulaC26H32O6
Molecular Weight440.54 g/mol
Exact Mass440.22
IUPAC Name3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
SMILESCOc1ccc(C2OCC3C(c4ccc(OCC=C(C)C)c(OC)c4)OCC23)cc1OC
InChIInChI=1S/C26H32O6/c1-16(2)10-11-30-22-9-7-18(13-24(22)29-5)26-20-15-31-25(19(20)14-32-26)17-6-8-21(27-3)23(12-17)28-4/h6-10,12-13,19-20,25-26H,11,14-15H2,1-5H3
InChIKeyVRRDTZZCQTYUBV-UHFFFAOYSA-N
XLogP5.13
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan (CID 171329302) is 3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan is COc1ccc(C2OCC3C(c4ccc(OCC=C(C)C)c(OC)c4)OCC23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan?
The InChIKey is VRRDTZZCQTYUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O6/c1-16(2)10-11-30-22-9-7-18(13-24(22)29-5)26-20-15-31-25(19(20)14-32-26)17-6-8-21(27-3)23(12-17)28-4/h6-10,12-13,19-20,25-26H,11,14-15H2,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan?
3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan has a molecular weight of 440.54 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan is sourced from PubChem (CID 171329302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).