2-phenoxybenzonitrile

C13H9NO — CID 12548616

IUPAC2-phenoxybenzonitrile
SMILESN#Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C13H9NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H
InChIKeyBNVCOVNARIQBEO-UHFFFAOYSA-N
MW195.22 g/mol
LogP3.35
Rot. Bonds2

About 2-phenoxybenzonitrile

2-phenoxybenzonitrile (PubChem CID 12548616) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-phenoxybenzonitrile.

Molecular Properties

Compound Name2-phenoxybenzonitrile
PubChem CID12548616
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name2-phenoxybenzonitrile
SMILESN#Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C13H9NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H
InChIKeyBNVCOVNARIQBEO-UHFFFAOYSA-N
XLogP3.35
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxybenzonitrile?
The IUPAC name of 2-phenoxybenzonitrile (CID 12548616) is 2-phenoxybenzonitrile.
What is the SMILES notation for 2-phenoxybenzonitrile?
The canonical SMILES for 2-phenoxybenzonitrile is N#Cc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-phenoxybenzonitrile?
The InChIKey is BNVCOVNARIQBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H.
What are the key properties of 2-phenoxybenzonitrile?
2-phenoxybenzonitrile has a molecular weight of 195.22 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxybenzonitrile is sourced from PubChem (CID 12548616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).