3-(methoxymethyl)-2-benzofuran-5-carbonitrile

C11H9NO2 — CID 67276006

IUPAC3-(methoxymethyl)-2-benzofuran-5-carbonitrile
SMILESCOCc1occ2ccc(C#N)cc12
InChIInChI=1S/C11H9NO2/c1-13-7-11-10-4-8(5-12)2-3-9(10)6-14-11/h2-4,6H,7H2,1H3
InChIKeyDTVCQTOOOGNIAF-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.45
Rot. Bonds2

About 3-(methoxymethyl)-2-benzofuran-5-carbonitrile

3-(methoxymethyl)-2-benzofuran-5-carbonitrile (PubChem CID 67276006) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name3-(methoxymethyl)-2-benzofuran-5-carbonitrile
PubChem CID67276006
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name3-(methoxymethyl)-2-benzofuran-5-carbonitrile
SMILESCOCc1occ2ccc(C#N)cc12
InChIInChI=1S/C11H9NO2/c1-13-7-11-10-4-8(5-12)2-3-9(10)6-14-11/h2-4,6H,7H2,1H3
InChIKeyDTVCQTOOOGNIAF-UHFFFAOYSA-N
XLogP2.45
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-benzofuran-5-carbonitrile?
The IUPAC name of 3-(methoxymethyl)-2-benzofuran-5-carbonitrile (CID 67276006) is 3-(methoxymethyl)-2-benzofuran-5-carbonitrile.
What is the SMILES notation for 3-(methoxymethyl)-2-benzofuran-5-carbonitrile?
The canonical SMILES for 3-(methoxymethyl)-2-benzofuran-5-carbonitrile is COCc1occ2ccc(C#N)cc12.
What is the InChIKey of 3-(methoxymethyl)-2-benzofuran-5-carbonitrile?
The InChIKey is DTVCQTOOOGNIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-13-7-11-10-4-8(5-12)2-3-9(10)6-14-11/h2-4,6H,7H2,1H3.
What are the key properties of 3-(methoxymethyl)-2-benzofuran-5-carbonitrile?
3-(methoxymethyl)-2-benzofuran-5-carbonitrile has a molecular weight of 187.20 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-benzofuran-5-carbonitrile is sourced from PubChem (CID 67276006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).