4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile

C18H15NO2 — CID 71415269

IUPAC4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile
SMILESCOCCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1
InChIInChI=1S/C18H15NO2/c1-20-9-8-17-11-16-10-15(6-7-18(16)21-17)14-4-2-13(12-19)3-5-14/h2-7,10-11H,8-9H2,1H3
InChIKeyLKPULJVDCNFTLE-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.16
Rot. Bonds4

About 4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile

4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile (PubChem CID 71415269) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile
PubChem CID71415269
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile
SMILESCOCCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1
InChIInChI=1S/C18H15NO2/c1-20-9-8-17-11-16-10-15(6-7-18(16)21-17)14-4-2-13(12-19)3-5-14/h2-7,10-11H,8-9H2,1H3
InChIKeyLKPULJVDCNFTLE-UHFFFAOYSA-N
XLogP4.16
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile 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

4-[2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile
CID 11255988
4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile
CID 22274471
2-butyl-1-benzofuran-5-carbonitrile
CID 69361525
3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile
CID 22274607
2,3-dihydroxybutanedioic acid;4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]benzonitrile
CID 72748659
4-[16-(4-cyanophenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]benzonitrile
CID 70854772
4-(6-butoxynaphthalen-2-yl)benzonitrile
CID 13450021
4-[2-[2-(dimethylamino)ethyl]-1,3-benzoxazol-5-yl]benzonitrile
CID 11449194
2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile
CID 135058554
4-(3,4-dimethoxyphenyl)benzonitrile
CID 11195791
4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile
CID 70847283
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile
CID 103827457

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile?
The IUPAC name of 4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile (CID 71415269) is 4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile.
What is the SMILES notation for 4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile?
The canonical SMILES for 4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile is COCCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1.
What is the InChIKey of 4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile?
The InChIKey is LKPULJVDCNFTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-20-9-8-17-11-16-10-15(6-7-18(16)21-17)14-4-2-13(12-19)3-5-14/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile?
4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile has a molecular weight of 277.32 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile is sourced from PubChem (CID 71415269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).