4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile

C15H10N2O — CID 15889206

IUPAC4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile
SMILESCOc1ccccc1-c1ccc(C#N)c(C#N)c1
InChIInChI=1S/C15H10N2O/c1-18-15-5-3-2-4-14(15)11-6-7-12(9-16)13(8-11)10-17/h2-8H,1H3
InChIKeyHKEBQYZPCPJFBR-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.11
Rot. Bonds2

About 4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile

4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile (PubChem CID 15889206) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile
PubChem CID15889206
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile
SMILESCOc1ccccc1-c1ccc(C#N)c(C#N)c1
InChIInChI=1S/C15H10N2O/c1-18-15-5-3-2-4-14(15)11-6-7-12(9-16)13(8-11)10-17/h2-8H,1H3
InChIKeyHKEBQYZPCPJFBR-UHFFFAOYSA-N
XLogP3.11
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
2-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876
4,5-difluoro-2-(2-methoxyphenyl)benzonitrile
CID 172648926
2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile
CID 67529038
4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile
CID 57057404
2-ethynyl-4-(2-methoxyphenyl)-1-nitrobenzene
CID 176548422
2-ethynyl-3-(2-methoxyphenyl)benzonitrile
CID 87527012
4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile
CID 21219307
4-(2-methoxyphenyl)aniline;molecular nitrogen
CID 70114722
2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134628099
2-[2-[2-methoxy-4-[2-[2-methoxy-4-[2-(2-methoxyphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzonitrile
CID 102074899
5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile?
The IUPAC name of 4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile (CID 15889206) is 4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile is COc1ccccc1-c1ccc(C#N)c(C#N)c1.
What is the InChIKey of 4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile?
The InChIKey is HKEBQYZPCPJFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c1-18-15-5-3-2-4-14(15)11-6-7-12(9-16)13(8-11)10-17/h2-8H,1H3.
What are the key properties of 4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile?
4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile has a molecular weight of 234.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 15889206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).