2-(2H-pyran-4-yloxy)benzonitrile

C12H9NO2 — CID 141355422

IUPAC2-(2H-pyran-4-yloxy)benzonitrile
SMILESN#Cc1ccccc1OC1=CCOC=C1
InChIInChI=1S/C12H9NO2/c13-9-10-3-1-2-4-12(10)15-11-5-7-14-8-6-11/h1-7H,8H2
InChIKeyRCGOJMHPHNQYLN-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.36
Rot. Bonds2

About 2-(2H-pyran-4-yloxy)benzonitrile

2-(2H-pyran-4-yloxy)benzonitrile (PubChem CID 141355422) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(2H-pyran-4-yloxy)benzonitrile.

Molecular Properties

Compound Name2-(2H-pyran-4-yloxy)benzonitrile
PubChem CID141355422
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2-(2H-pyran-4-yloxy)benzonitrile
SMILESN#Cc1ccccc1OC1=CCOC=C1
InChIInChI=1S/C12H9NO2/c13-9-10-3-1-2-4-12(10)15-11-5-7-14-8-6-11/h1-7H,8H2
InChIKeyRCGOJMHPHNQYLN-UHFFFAOYSA-N
XLogP2.36
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyran-4-yloxy)benzonitrile?
The IUPAC name of 2-(2H-pyran-4-yloxy)benzonitrile (CID 141355422) is 2-(2H-pyran-4-yloxy)benzonitrile.
What is the SMILES notation for 2-(2H-pyran-4-yloxy)benzonitrile?
The canonical SMILES for 2-(2H-pyran-4-yloxy)benzonitrile is N#Cc1ccccc1OC1=CCOC=C1.
What is the InChIKey of 2-(2H-pyran-4-yloxy)benzonitrile?
The InChIKey is RCGOJMHPHNQYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c13-9-10-3-1-2-4-12(10)15-11-5-7-14-8-6-11/h1-7H,8H2.
What are the key properties of 2-(2H-pyran-4-yloxy)benzonitrile?
2-(2H-pyran-4-yloxy)benzonitrile has a molecular weight of 199.21 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyran-4-yloxy)benzonitrile is sourced from PubChem (CID 141355422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).