3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile

C20H19NO2 — CID 142634011

IUPAC3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile
SMILESCCc1c(CCc2ccc(OC)cc2)oc2ccc(C#N)cc12
InChIInChI=1S/C20H19NO2/c1-3-17-18-12-15(13-21)7-11-20(18)23-19(17)10-6-14-4-8-16(22-2)9-5-14/h4-5,7-9,11-12H,3,6,10H2,1-2H3
InChIKeyBVSGZWQWALCWKO-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.66
Rot. Bonds5

About 3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile

3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile (PubChem CID 142634011) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile
PubChem CID142634011
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile
SMILESCCc1c(CCc2ccc(OC)cc2)oc2ccc(C#N)cc12
InChIInChI=1S/C20H19NO2/c1-3-17-18-12-15(13-21)7-11-20(18)23-19(17)10-6-14-4-8-16(22-2)9-5-14/h4-5,7-9,11-12H,3,6,10H2,1-2H3
InChIKeyBVSGZWQWALCWKO-UHFFFAOYSA-N
XLogP4.66
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine
CID 11121585
4-methoxy(13C)benzonitrile
CID 175991125
2-[[4-[2-(4-methoxyphenyl)ethyl]phenyl]methyl]-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole-8-carbonitrile;hydrochloride
CID 22622684
3-fluoro-4-[2-(4-methoxyphenyl)ethylamino]benzonitrile
CID 43657066
3-acetyl-2-[2-(4-methoxyphenyl)ethenyl]-1-benzofuran-5-carbonitrile
CID 54193081
2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine
CID 11023552
3-[(4-methoxyphenyl)methyl]benzonitrile
CID 126697146
3-(4-methoxyphenyl)-2-oxochromene-7-carbonitrile
CID 124928122
(5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine
CID 115493278
1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 613607
5-bromo-3-methyl-2H-indazole;bis(1-ethyl-4-methoxybenzene);3-methyl-2H-indazole-5-carbonitrile
CID 162289731
4-[(4-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481488

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile?
The IUPAC name of 3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile (CID 142634011) is 3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile.
What is the SMILES notation for 3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile?
The canonical SMILES for 3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile is CCc1c(CCc2ccc(OC)cc2)oc2ccc(C#N)cc12.
What is the InChIKey of 3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile?
The InChIKey is BVSGZWQWALCWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-3-17-18-12-15(13-21)7-11-20(18)23-19(17)10-6-14-4-8-16(22-2)9-5-14/h4-5,7-9,11-12H,3,6,10H2,1-2H3.
What are the key properties of 3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile?
3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile has a molecular weight of 305.38 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-benzofuran-5-carbonitrile is sourced from PubChem (CID 142634011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).