3-(methoxymethyl)-2-benzofuran-4,5-dicarbonitrile

C12H8N2O2 — CID 67274548

IUPAC3-(methoxymethyl)-2-benzofuran-4,5-dicarbonitrile
SMILESCOCc1occ2ccc(C#N)c(C#N)c12
InChIInChI=1S/C12H8N2O2/c1-15-7-11-12-9(6-16-11)3-2-8(4-13)10(12)5-14/h2-3,6H,7H2,1H3
InChIKeyIZCVDAIGWMXGKN-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.32
Rot. Bonds2

About 3-(methoxymethyl)-2-benzofuran-4,5-dicarbonitrile

3-(methoxymethyl)-2-benzofuran-4,5-dicarbonitrile (PubChem CID 67274548) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-benzofuran-4,5-dicarbonitrile.

Molecular Properties

Compound Name3-(methoxymethyl)-2-benzofuran-4,5-dicarbonitrile
PubChem CID67274548
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name3-(methoxymethyl)-2-benzofuran-4,5-dicarbonitrile
SMILESCOCc1occ2ccc(C#N)c(C#N)c12
InChIInChI=1S/C12H8N2O2/c1-15-7-11-12-9(6-16-11)3-2-8(4-13)10(12)5-14/h2-3,6H,7H2,1H3
InChIKeyIZCVDAIGWMXGKN-UHFFFAOYSA-N
XLogP2.32
TPSA69.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-benzofuran-4,5-dicarbonitrile?
The IUPAC name of 3-(methoxymethyl)-2-benzofuran-4,5-dicarbonitrile (CID 67274548) is 3-(methoxymethyl)-2-benzofuran-4,5-dicarbonitrile.
What is the SMILES notation for 3-(methoxymethyl)-2-benzofuran-4,5-dicarbonitrile?
The canonical SMILES for 3-(methoxymethyl)-2-benzofuran-4,5-dicarbonitrile is COCc1occ2ccc(C#N)c(C#N)c12.
What is the InChIKey of 3-(methoxymethyl)-2-benzofuran-4,5-dicarbonitrile?
The InChIKey is IZCVDAIGWMXGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c1-15-7-11-12-9(6-16-11)3-2-8(4-13)10(12)5-14/h2-3,6H,7H2,1H3.
What are the key properties of 3-(methoxymethyl)-2-benzofuran-4,5-dicarbonitrile?
3-(methoxymethyl)-2-benzofuran-4,5-dicarbonitrile has a molecular weight of 212.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-benzofuran-4,5-dicarbonitrile is sourced from PubChem (CID 67274548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).