4-naphthalen-1-yloxybenzonitrile

C17H11NO — CID 29274750

IUPAC4-naphthalen-1-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C17H11NO/c18-12-13-8-10-15(11-9-13)19-17-7-3-5-14-4-1-2-6-16(14)17/h1-11H
InChIKeyVNBNEQQFOAFZLG-UHFFFAOYSA-N
MW245.28 g/mol
LogP4.50
Rot. Bonds2

About 4-naphthalen-1-yloxybenzonitrile

4-naphthalen-1-yloxybenzonitrile (PubChem CID 29274750) has the molecular formula C17H11NO and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-naphthalen-1-yloxybenzonitrile.

Molecular Properties

Compound Name4-naphthalen-1-yloxybenzonitrile
PubChem CID29274750
Molecular FormulaC17H11NO
Molecular Weight245.28 g/mol
Exact Mass245.08
IUPAC Name4-naphthalen-1-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccc3ccccc23)cc1
InChIInChI=1S/C17H11NO/c18-12-13-8-10-15(11-9-13)19-17-7-3-5-14-4-1-2-6-16(14)17/h1-11H
InChIKeyVNBNEQQFOAFZLG-UHFFFAOYSA-N
XLogP4.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yloxybenzonitrile?
The IUPAC name of 4-naphthalen-1-yloxybenzonitrile (CID 29274750) is 4-naphthalen-1-yloxybenzonitrile.
What is the SMILES notation for 4-naphthalen-1-yloxybenzonitrile?
The canonical SMILES for 4-naphthalen-1-yloxybenzonitrile is N#Cc1ccc(Oc2cccc3ccccc23)cc1.
What is the InChIKey of 4-naphthalen-1-yloxybenzonitrile?
The InChIKey is VNBNEQQFOAFZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO/c18-12-13-8-10-15(11-9-13)19-17-7-3-5-14-4-1-2-6-16(14)17/h1-11H.
What are the key properties of 4-naphthalen-1-yloxybenzonitrile?
4-naphthalen-1-yloxybenzonitrile has a molecular weight of 245.28 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yloxybenzonitrile is sourced from PubChem (CID 29274750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).