2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile

C16H13NO2 — CID 66365332

IUPAC2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile
SMILESN#Cc1ccccc1OCC1Cc2ccccc2O1
InChIInChI=1S/C16H13NO2/c17-10-13-6-2-3-7-15(13)18-11-14-9-12-5-1-4-8-16(12)19-14/h1-8,14H,9,11H2
InChIKeyQCVGUPHUGNGNLT-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.94
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile

2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile (PubChem CID 66365332) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile
PubChem CID66365332
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile
SMILESN#Cc1ccccc1OCC1Cc2ccccc2O1
InChIInChI=1S/C16H13NO2/c17-10-13-6-2-3-7-15(13)18-11-14-9-12-5-1-4-8-16(12)19-14/h1-8,14H,9,11H2
InChIKeyQCVGUPHUGNGNLT-UHFFFAOYSA-N
XLogP2.94
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66364551
[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol
CID 66364175
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
[4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine
CID 114322334
[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine
CID 66348957
2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline
CID 66348762
[3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol
CID 66364960
5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzoic acid
CID 66364945
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline
CID 66348760
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66363776
2-(morpholin-2-ylmethoxy)benzonitrile
CID 64534469
5-fluoro-2-[(2-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 66361307

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile (CID 66365332) is 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile is N#Cc1ccccc1OCC1Cc2ccccc2O1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile?
The InChIKey is QCVGUPHUGNGNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c17-10-13-6-2-3-7-15(13)18-11-14-9-12-5-1-4-8-16(12)19-14/h1-8,14H,9,11H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile?
2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile has a molecular weight of 251.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile is sourced from PubChem (CID 66365332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).