2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile

C11H11NO2 — CID 71758593

IUPAC2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile
SMILESCOc1cccc2c1CC(CC#N)O2
InChIInChI=1S/C11H11NO2/c1-13-10-3-2-4-11-9(10)7-8(14-11)5-6-12/h2-4,8H,5,7H2,1H3
InChIKeyCLVGBWZRFVMNPB-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.91
Rot. Bonds2

About 2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile

2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile (PubChem CID 71758593) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile
PubChem CID71758593
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile
SMILESCOc1cccc2c1CC(CC#N)O2
InChIInChI=1S/C11H11NO2/c1-13-10-3-2-4-11-9(10)7-8(14-11)5-6-12/h2-4,8H,5,7H2,1H3
InChIKeyCLVGBWZRFVMNPB-UHFFFAOYSA-N
XLogP1.91
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile?
The IUPAC name of 2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile (CID 71758593) is 2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile?
The canonical SMILES for 2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile is COc1cccc2c1CC(CC#N)O2.
What is the InChIKey of 2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile?
The InChIKey is CLVGBWZRFVMNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-13-10-3-2-4-11-9(10)7-8(14-11)5-6-12/h2-4,8H,5,7H2,1H3.
What are the key properties of 2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile?
2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile has a molecular weight of 189.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetonitrile is sourced from PubChem (CID 71758593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).