4-methoxy-2-naphthalen-2-yloxybenzonitrile

C18H13NO2 — CID 81297139

IUPAC4-methoxy-2-naphthalen-2-yloxybenzonitrile
SMILESCOc1ccc(C#N)c(Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C18H13NO2/c1-20-16-8-7-15(12-19)18(11-16)21-17-9-6-13-4-2-3-5-14(13)10-17/h2-11H,1H3
InChIKeyPAXNERKIPWFMSM-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.51
Rot. Bonds3

About 4-methoxy-2-naphthalen-2-yloxybenzonitrile

4-methoxy-2-naphthalen-2-yloxybenzonitrile (PubChem CID 81297139) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-methoxy-2-naphthalen-2-yloxybenzonitrile.

Molecular Properties

Compound Name4-methoxy-2-naphthalen-2-yloxybenzonitrile
PubChem CID81297139
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name4-methoxy-2-naphthalen-2-yloxybenzonitrile
SMILESCOc1ccc(C#N)c(Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C18H13NO2/c1-20-16-8-7-15(12-19)18(11-16)21-17-9-6-13-4-2-3-5-14(13)10-17/h2-11H,1H3
InChIKeyPAXNERKIPWFMSM-UHFFFAOYSA-N
XLogP4.51
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-naphthalen-2-yloxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-naphthalen-2-yloxybenzonitrile?
The IUPAC name of 4-methoxy-2-naphthalen-2-yloxybenzonitrile (CID 81297139) is 4-methoxy-2-naphthalen-2-yloxybenzonitrile.
What is the SMILES notation for 4-methoxy-2-naphthalen-2-yloxybenzonitrile?
The canonical SMILES for 4-methoxy-2-naphthalen-2-yloxybenzonitrile is COc1ccc(C#N)c(Oc2ccc3ccccc3c2)c1.
What is the InChIKey of 4-methoxy-2-naphthalen-2-yloxybenzonitrile?
The InChIKey is PAXNERKIPWFMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-20-16-8-7-15(12-19)18(11-16)21-17-9-6-13-4-2-3-5-14(13)10-17/h2-11H,1H3.
What are the key properties of 4-methoxy-2-naphthalen-2-yloxybenzonitrile?
4-methoxy-2-naphthalen-2-yloxybenzonitrile has a molecular weight of 275.31 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-naphthalen-2-yloxybenzonitrile is sourced from PubChem (CID 81297139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).