7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran

C26H30O2 — CID 102449944

IUPAC7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran
SMILESCCC(C)c1cc(-c2cc(C(C)CC)c3oc(C)cc3c2)cc2cc(C)oc12
InChIInChI=1S/C26H30O2/c1-7-15(3)23-13-19(11-21-9-17(5)27-25(21)23)20-12-22-10-18(6)28-26(22)24(14-20)16(4)8-2/h9-16H,7-8H2,1-6H3
InChIKeyISBWRNGEBZZYEM-UHFFFAOYSA-N
MW374.52 g/mol
LogP8.49
Rot. Bonds5

About 7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran

7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran (PubChem CID 102449944) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran.

Molecular Properties

Compound Name7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran
PubChem CID102449944
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran
SMILESCCC(C)c1cc(-c2cc(C(C)CC)c3oc(C)cc3c2)cc2cc(C)oc12
InChIInChI=1S/C26H30O2/c1-7-15(3)23-13-19(11-21-9-17(5)27-25(21)23)20-12-22-10-18(6)28-26(22)24(14-20)16(4)8-2/h9-16H,7-8H2,1-6H3
InChIKeyISBWRNGEBZZYEM-UHFFFAOYSA-N
XLogP8.49
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran?
The IUPAC name of 7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran (CID 102449944) is 7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran.
What is the SMILES notation for 7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran?
The canonical SMILES for 7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran is CCC(C)c1cc(-c2cc(C(C)CC)c3oc(C)cc3c2)cc2cc(C)oc12.
What is the InChIKey of 7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran?
The InChIKey is ISBWRNGEBZZYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2/c1-7-15(3)23-13-19(11-21-9-17(5)27-25(21)23)20-12-22-10-18(6)28-26(22)24(14-20)16(4)8-2/h9-16H,7-8H2,1-6H3.
What are the key properties of 7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran?
7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran has a molecular weight of 374.52 g/mol, XLogP of 8.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-5-(7-butan-2-yl-2-methyl-1-benzofuran-5-yl)-2-methyl-1-benzofuran is sourced from PubChem (CID 102449944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).