2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile

C18H17NO2 — CID 65446556

IUPAC2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H17NO2/c19-10-7-14-1-4-17(5-2-14)20-11-8-15-3-6-18-16(13-15)9-12-21-18/h1-6,13H,7-9,11-12H2
InChIKeyXSGFRWRGIFMDBV-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.31
Rot. Bonds5

About 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile

2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile (PubChem CID 65446556) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile
PubChem CID65446556
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H17NO2/c19-10-7-14-1-4-17(5-2-14)20-11-8-15-3-6-18-16(13-15)9-12-21-18/h1-6,13H,7-9,11-12H2
InChIKeyXSGFRWRGIFMDBV-UHFFFAOYSA-N
XLogP3.31
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 10986528
2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]benzonitrile
CID 102674746
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-fluoropyridine
CID 113296520
2-chloro-4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 65431769
5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107723704
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-phenoxyethyl)ethanamine
CID 65446343
5-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 65441677
N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 134012127
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methylaniline
CID 65430638
1-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]ethanol
CID 65445625
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea
CID 86952371
1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine
CID 65429354

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile (CID 65446556) is 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile is N#CCc1ccc(OCCc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile?
The InChIKey is XSGFRWRGIFMDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c19-10-7-14-1-4-17(5-2-14)20-11-8-15-3-6-18-16(13-15)9-12-21-18/h1-6,13H,7-9,11-12H2.
What are the key properties of 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile?
2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile has a molecular weight of 279.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile is sourced from PubChem (CID 65446556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).