2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile

C12H13NO3 — CID 10680376

IUPAC2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile
SMILESCOc1cc(CC#N)c2c(c1OC)OCC2
InChIInChI=1S/C12H13NO3/c1-14-10-7-8(3-5-13)9-4-6-16-11(9)12(10)15-2/h7H,3-4,6H2,1-2H3
InChIKeyUHYHOZUCWUTUQY-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.70
Rot. Bonds3

About 2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile

2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile (PubChem CID 10680376) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile
PubChem CID10680376
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile
SMILESCOc1cc(CC#N)c2c(c1OC)OCC2
InChIInChI=1S/C12H13NO3/c1-14-10-7-8(3-5-13)9-4-6-16-11(9)12(10)15-2/h7H,3-4,6H2,1-2H3
InChIKeyUHYHOZUCWUTUQY-UHFFFAOYSA-N
XLogP1.70
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile
CID 84777196
2-(4-bromo-7-methoxy-1,3-benzodioxol-5-yl)acetonitrile
CID 53465742
2-(3-fluoro-2,4,5-trimethoxyphenyl)acetonitrile
CID 117322895
2-(5-bromo-2,3-dimethoxyphenyl)acetonitrile
CID 10400157
(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 117305849
(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanamine
CID 84767883
2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)acetonitrile
CID 84790456
2-(3,6-dimethoxy-4-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetonitrile
CID 117360041
2-(4-tert-butyl-2,5-dimethoxyphenyl)acetonitrile
CID 117338385
6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine
CID 130420635
3-(cyanomethyl)-4,5-dimethoxybenzoic acid
CID 117315228
2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117434905

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile?
The IUPAC name of 2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile (CID 10680376) is 2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile.
What is the SMILES notation for 2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile?
The canonical SMILES for 2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile is COc1cc(CC#N)c2c(c1OC)OCC2.
What is the InChIKey of 2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile?
The InChIKey is UHYHOZUCWUTUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-14-10-7-8(3-5-13)9-4-6-16-11(9)12(10)15-2/h7H,3-4,6H2,1-2H3.
What are the key properties of 2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile?
2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile has a molecular weight of 219.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile is sourced from PubChem (CID 10680376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).