4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile

C20H14N2O2 — CID 71367616

IUPAC4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile
SMILESCOc1ccc2ccccc2c1COc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C20H14N2O2/c1-23-20-9-7-14-4-2-3-5-18(14)19(20)13-24-17-8-6-15(11-21)16(10-17)12-22/h2-10H,13H2,1H3
InChIKeyPTXXKBULKCJOTR-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.17
Rot. Bonds4

About 4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile

4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile (PubChem CID 71367616) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile
PubChem CID71367616
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile
SMILESCOc1ccc2ccccc2c1COc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C20H14N2O2/c1-23-20-9-7-14-4-2-3-5-18(14)19(20)13-24-17-8-6-15(11-21)16(10-17)12-22/h2-10H,13H2,1H3
InChIKeyPTXXKBULKCJOTR-UHFFFAOYSA-N
XLogP4.17
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxynaphthalen-1-yl)methoxy]anthracene
CID 71427905
4-[(2,3,4,5,6-pentafluorophenyl)methoxy]benzene-1,2-dicarbonitrile
CID 102581377
1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene
CID 166896923
4-(1,3-dinaphthalen-1-yloxypropan-2-yloxy)benzene-1,2-dicarbonitrile
CID 102599615
3-[(2-methoxynaphthalen-1-yl)methylamino]propanenitrile
CID 43215614
4-methoxy-2-naphthalen-2-yloxybenzonitrile
CID 81297139
2-[2-(3,4-dimethylphenoxy)ethoxy]naphthalene-1-carbonitrile
CID 22685831
5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 65344295
5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile
CID 65341217
2-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876
4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile
CID 78952742
5-[[3-(chloromethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339485

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile (CID 71367616) is 4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile is COc1ccc2ccccc2c1COc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile?
The InChIKey is PTXXKBULKCJOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c1-23-20-9-7-14-4-2-3-5-18(14)19(20)13-24-17-8-6-15(11-21)16(10-17)12-22/h2-10H,13H2,1H3.
What are the key properties of 4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile?
4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile has a molecular weight of 314.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxynaphthalen-1-yl)methoxy]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 71367616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).