4-naphthalen-2-yloxybenzene-1,2-dicarbonitrile

C18H10N2O — CID 746636

IUPAC4-naphthalen-2-yloxybenzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Oc2ccc3ccccc3c2)cc1C#N
InChIInChI=1S/C18H10N2O/c19-11-15-6-8-18(10-16(15)12-20)21-17-7-5-13-3-1-2-4-14(13)9-17/h1-10H
InChIKeyMVQSGAHWADNELM-UHFFFAOYSA-N
MW270.29 g/mol
LogP4.38
Rot. Bonds2

About 4-naphthalen-2-yloxybenzene-1,2-dicarbonitrile

4-naphthalen-2-yloxybenzene-1,2-dicarbonitrile (PubChem CID 746636) has the molecular formula C18H10N2O and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-naphthalen-2-yloxybenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-naphthalen-2-yloxybenzene-1,2-dicarbonitrile
PubChem CID746636
Molecular FormulaC18H10N2O
Molecular Weight270.29 g/mol
Exact Mass270.08
IUPAC Name4-naphthalen-2-yloxybenzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Oc2ccc3ccccc3c2)cc1C#N
InChIInChI=1S/C18H10N2O/c19-11-15-6-8-18(10-16(15)12-20)21-17-7-5-13-3-1-2-4-14(13)9-17/h1-10H
InChIKeyMVQSGAHWADNELM-UHFFFAOYSA-N
XLogP4.38
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yloxybenzene-1,2-dicarbonitrile?
The IUPAC name of 4-naphthalen-2-yloxybenzene-1,2-dicarbonitrile (CID 746636) is 4-naphthalen-2-yloxybenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-naphthalen-2-yloxybenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-naphthalen-2-yloxybenzene-1,2-dicarbonitrile is N#Cc1ccc(Oc2ccc3ccccc3c2)cc1C#N.
What is the InChIKey of 4-naphthalen-2-yloxybenzene-1,2-dicarbonitrile?
The InChIKey is MVQSGAHWADNELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2O/c19-11-15-6-8-18(10-16(15)12-20)21-17-7-5-13-3-1-2-4-14(13)9-17/h1-10H.
What are the key properties of 4-naphthalen-2-yloxybenzene-1,2-dicarbonitrile?
4-naphthalen-2-yloxybenzene-1,2-dicarbonitrile has a molecular weight of 270.29 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yloxybenzene-1,2-dicarbonitrile is sourced from PubChem (CID 746636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).