3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran

C21H24O2 — CID 132561837

IUPAC3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran
SMILESCc1ccc2c(c1)C(C)(CCC1(C)COc3ccccc31)CO2
InChIInChI=1S/C21H24O2/c1-15-8-9-19-17(12-15)21(3,14-23-19)11-10-20(2)13-22-18-7-5-4-6-16(18)20/h4-9,12H,10-11,13-14H2,1-3H3
InChIKeyLNNIGWLMOMBHOF-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.78
Rot. Bonds3

About 3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran

3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran (PubChem CID 132561837) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran.

Molecular Properties

Compound Name3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran
PubChem CID132561837
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran
SMILESCc1ccc2c(c1)C(C)(CCC1(C)COc3ccccc31)CO2
InChIInChI=1S/C21H24O2/c1-15-8-9-19-17(12-15)21(3,14-23-19)11-10-20(2)13-22-18-7-5-4-6-16(18)20/h4-9,12H,10-11,13-14H2,1-3H3
InChIKeyLNNIGWLMOMBHOF-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran?
The IUPAC name of 3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran (CID 132561837) is 3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran.
What is the SMILES notation for 3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran?
The canonical SMILES for 3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran is Cc1ccc2c(c1)C(C)(CCC1(C)COc3ccccc31)CO2.
What is the InChIKey of 3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran?
The InChIKey is LNNIGWLMOMBHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-15-8-9-19-17(12-15)21(3,14-23-19)11-10-20(2)13-22-18-7-5-4-6-16(18)20/h4-9,12H,10-11,13-14H2,1-3H3.
What are the key properties of 3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran?
3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran has a molecular weight of 308.42 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran is sourced from PubChem (CID 132561837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).