2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran

C26H28O6 — CID 11441952

IUPAC2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran
SMILESC=C(CC(C)(C)c1cc2cc(OC)c(OC)cc2o1)c1cc2cc(OC)c(OC)cc2o1
InChIInChI=1S/C26H28O6/c1-15(18-8-16-9-21(27-4)23(29-6)12-19(16)31-18)14-26(2,3)25-11-17-10-22(28-5)24(30-7)13-20(17)32-25/h8-13H,1,14H2,2-7H3
InChIKeyGAPWLJHRPICRGI-UHFFFAOYSA-N
MW436.50 g/mol
LogP6.59
Rot. Bonds8

About 2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran

2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran (PubChem CID 11441952) has the molecular formula C26H28O6 and a molecular weight of 436.50 g/mol. Its IUPAC name is 2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran.

Molecular Properties

Compound Name2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran
PubChem CID11441952
Molecular FormulaC26H28O6
Molecular Weight436.50 g/mol
Exact Mass436.19
IUPAC Name2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran
SMILESC=C(CC(C)(C)c1cc2cc(OC)c(OC)cc2o1)c1cc2cc(OC)c(OC)cc2o1
InChIInChI=1S/C26H28O6/c1-15(18-8-16-9-21(27-4)23(29-6)12-19(16)31-18)14-26(2,3)25-11-17-10-22(28-5)24(30-7)13-20(17)32-25/h8-13H,1,14H2,2-7H3
InChIKeyGAPWLJHRPICRGI-UHFFFAOYSA-N
XLogP6.59
TPSA63.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.50
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran?
The IUPAC name of 2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran (CID 11441952) is 2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran.
What is the SMILES notation for 2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran?
The canonical SMILES for 2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran is C=C(CC(C)(C)c1cc2cc(OC)c(OC)cc2o1)c1cc2cc(OC)c(OC)cc2o1.
What is the InChIKey of 2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran?
The InChIKey is GAPWLJHRPICRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O6/c1-15(18-8-16-9-21(27-4)23(29-6)12-19(16)31-18)14-26(2,3)25-11-17-10-22(28-5)24(30-7)13-20(17)32-25/h8-13H,1,14H2,2-7H3.
What are the key properties of 2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran?
2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran has a molecular weight of 436.50 g/mol, XLogP of 6.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dimethoxy-1-benzofuran-2-yl)-2-methylpent-4-en-2-yl]-5,6-dimethoxy-1-benzofuran is sourced from PubChem (CID 11441952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).