3-(1-methoxyethyl)-2-methyl-1-benzofuran-5,6-dicarbonitrile

C14H12N2O2 — CID 102565243

IUPAC3-(1-methoxyethyl)-2-methyl-1-benzofuran-5,6-dicarbonitrile
SMILESCOC(C)c1c(C)oc2cc(C#N)c(C#N)cc12
InChIInChI=1S/C14H12N2O2/c1-8(17-3)14-9(2)18-13-5-11(7-16)10(6-15)4-12(13)14/h4-5,8H,1-3H3
InChIKeyJMQKCWHEACMDHL-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.19
Rot. Bonds2

About 3-(1-methoxyethyl)-2-methyl-1-benzofuran-5,6-dicarbonitrile

3-(1-methoxyethyl)-2-methyl-1-benzofuran-5,6-dicarbonitrile (PubChem CID 102565243) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(1-methoxyethyl)-2-methyl-1-benzofuran-5,6-dicarbonitrile.

Molecular Properties

Compound Name3-(1-methoxyethyl)-2-methyl-1-benzofuran-5,6-dicarbonitrile
PubChem CID102565243
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-(1-methoxyethyl)-2-methyl-1-benzofuran-5,6-dicarbonitrile
SMILESCOC(C)c1c(C)oc2cc(C#N)c(C#N)cc12
InChIInChI=1S/C14H12N2O2/c1-8(17-3)14-9(2)18-13-5-11(7-16)10(6-15)4-12(13)14/h4-5,8H,1-3H3
InChIKeyJMQKCWHEACMDHL-UHFFFAOYSA-N
XLogP3.19
TPSA69.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethyl)-2-methyl-1-benzofuran-5,6-dicarbonitrile?
The IUPAC name of 3-(1-methoxyethyl)-2-methyl-1-benzofuran-5,6-dicarbonitrile (CID 102565243) is 3-(1-methoxyethyl)-2-methyl-1-benzofuran-5,6-dicarbonitrile.
What is the SMILES notation for 3-(1-methoxyethyl)-2-methyl-1-benzofuran-5,6-dicarbonitrile?
The canonical SMILES for 3-(1-methoxyethyl)-2-methyl-1-benzofuran-5,6-dicarbonitrile is COC(C)c1c(C)oc2cc(C#N)c(C#N)cc12.
What is the InChIKey of 3-(1-methoxyethyl)-2-methyl-1-benzofuran-5,6-dicarbonitrile?
The InChIKey is JMQKCWHEACMDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-8(17-3)14-9(2)18-13-5-11(7-16)10(6-15)4-12(13)14/h4-5,8H,1-3H3.
What are the key properties of 3-(1-methoxyethyl)-2-methyl-1-benzofuran-5,6-dicarbonitrile?
3-(1-methoxyethyl)-2-methyl-1-benzofuran-5,6-dicarbonitrile has a molecular weight of 240.26 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethyl)-2-methyl-1-benzofuran-5,6-dicarbonitrile is sourced from PubChem (CID 102565243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).