4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile

C12H11NO2 — CID 176569138

IUPAC4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile
SMILESCCOc1ccc(C#N)c2occ(C)c12
InChIInChI=1S/C12H11NO2/c1-3-14-10-5-4-9(6-13)12-11(10)8(2)7-15-12/h4-5,7H,3H2,1-2H3
InChIKeyRFZHDZABDHGRQK-UHFFFAOYSA-N
MW201.22 g/mol
LogP3.01
Rot. Bonds2

About 4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile

4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile (PubChem CID 176569138) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile.

Molecular Properties

Compound Name4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile
PubChem CID176569138
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile
SMILESCCOc1ccc(C#N)c2occ(C)c12
InChIInChI=1S/C12H11NO2/c1-3-14-10-5-4-9(6-13)12-11(10)8(2)7-15-12/h4-5,7H,3H2,1-2H3
InChIKeyRFZHDZABDHGRQK-UHFFFAOYSA-N
XLogP3.01
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethoxy-4-oxochromene-3-carbonitrile
CID 82047716
3,4-diethoxy-2-fluorobenzonitrile
CID 23093717
4-chloro-2-ethoxybenzonitrile
CID 22721189
6-amino-3-ethoxy-2-methylbenzonitrile
CID 82014812
4-ethoxy-3-methylazulene-1-carbonitrile
CID 14615784
6-ethoxy-1,3-benzodioxole-5-carbonitrile
CID 130132312
3-ethoxy-2-sulfanylbenzonitrile
CID 91874372
ethyl 7-cyano-1-benzofuran-3-carboxylate
CID 169234926
6-ethoxy-4-methylpyridine-3-carbonitrile
CID 84618208
2-amino-3-ethoxybenzonitrile
CID 82014474
4,5-diethoxy-2-(furan-2-yl)benzonitrile
CID 168528745
4-ethoxy-2-propan-2-yloxybenzonitrile
CID 22721205

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile?
The IUPAC name of 4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile (CID 176569138) is 4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile.
What is the SMILES notation for 4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile?
The canonical SMILES for 4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile is CCOc1ccc(C#N)c2occ(C)c12.
What is the InChIKey of 4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile?
The InChIKey is RFZHDZABDHGRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-3-14-10-5-4-9(6-13)12-11(10)8(2)7-15-12/h4-5,7H,3H2,1-2H3.
What are the key properties of 4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile?
4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile has a molecular weight of 201.22 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-1-benzofuran-7-carbonitrile is sourced from PubChem (CID 176569138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).