(2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate

C20H17NO3 — CID 8846086

IUPAC(2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2c(CC(=O)OCc3ccccc3C#N)coc2c1
InChIInChI=1S/C20H17NO3/c1-2-14-7-8-18-17(13-23-19(18)9-14)10-20(22)24-12-16-6-4-3-5-15(16)11-21/h3-9,13H,2,10,12H2,1H3
InChIKeyOSDRVMFMDNAYNC-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.15
Rot. Bonds5

About (2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate

(2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate (PubChem CID 8846086) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate
PubChem CID8846086
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2c(CC(=O)OCc3ccccc3C#N)coc2c1
InChIInChI=1S/C20H17NO3/c1-2-14-7-8-18-17(13-23-19(18)9-14)10-20(22)24-12-16-6-4-3-5-15(16)11-21/h3-9,13H,2,10,12H2,1H3
InChIKeyOSDRVMFMDNAYNC-UHFFFAOYSA-N
XLogP4.15
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-cyanoanilino)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525492
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8846113
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525475
2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525396
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8846121
(3-cyanophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901957
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525426
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525556
(1-cyanoindolizin-2-yl)methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 16582195
(4-phenylphenyl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415600
benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of (2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate (CID 8846086) is (2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for (2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate is CCc1ccc2c(CC(=O)OCc3ccccc3C#N)coc2c1.
What is the InChIKey of (2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The InChIKey is OSDRVMFMDNAYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-2-14-7-8-18-17(13-23-19(18)9-14)10-20(22)24-12-16-6-4-3-5-15(16)11-21/h3-9,13H,2,10,12H2,1H3.
What are the key properties of (2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate?
(2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate has a molecular weight of 319.36 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8846086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).