2-methoxy-5-(4-methoxyphenyl)benzonitrile

C15H13NO2 — CID 59113876

IUPAC2-methoxy-5-(4-methoxyphenyl)benzonitrile
SMILESCOc1ccc(-c2ccc(OC)c(C#N)c2)cc1
InChIInChI=1S/C15H13NO2/c1-17-14-6-3-11(4-7-14)12-5-8-15(18-2)13(9-12)10-16/h3-9H,1-2H3
InChIKeyKLOWPKRCXSNRQI-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.24
Rot. Bonds3

About 2-methoxy-5-(4-methoxyphenyl)benzonitrile

2-methoxy-5-(4-methoxyphenyl)benzonitrile (PubChem CID 59113876) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-methoxy-5-(4-methoxyphenyl)benzonitrile.

Molecular Properties

Compound Name2-methoxy-5-(4-methoxyphenyl)benzonitrile
PubChem CID59113876
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-methoxy-5-(4-methoxyphenyl)benzonitrile
SMILESCOc1ccc(-c2ccc(OC)c(C#N)c2)cc1
InChIInChI=1S/C15H13NO2/c1-17-14-6-3-11(4-7-14)12-5-8-15(18-2)13(9-12)10-16/h3-9H,1-2H3
InChIKeyKLOWPKRCXSNRQI-UHFFFAOYSA-N
XLogP3.24
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile
CID 91876567
4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile
CID 21219307
1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
4-(3,4-dimethoxyphenyl)-2-fluorobenzonitrile
CID 59689087
4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile
CID 15889206
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile
CID 146694832
4-fluoro-2-(4-methoxyphenyl)benzonitrile
CID 67042916
5-[4-(2-cyclohexylethyl)phenyl]-2-methoxybenzonitrile
CID 173349929
5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile
CID 65336309
2-ethynyl-5-methoxybenzonitrile
CID 166529929
4-(3,4-dimethoxyphenyl)benzonitrile
CID 11195791

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methoxyphenyl)benzonitrile?
The IUPAC name of 2-methoxy-5-(4-methoxyphenyl)benzonitrile (CID 59113876) is 2-methoxy-5-(4-methoxyphenyl)benzonitrile.
What is the SMILES notation for 2-methoxy-5-(4-methoxyphenyl)benzonitrile?
The canonical SMILES for 2-methoxy-5-(4-methoxyphenyl)benzonitrile is COc1ccc(-c2ccc(OC)c(C#N)c2)cc1.
What is the InChIKey of 2-methoxy-5-(4-methoxyphenyl)benzonitrile?
The InChIKey is KLOWPKRCXSNRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-17-14-6-3-11(4-7-14)12-5-8-15(18-2)13(9-12)10-16/h3-9H,1-2H3.
What are the key properties of 2-methoxy-5-(4-methoxyphenyl)benzonitrile?
2-methoxy-5-(4-methoxyphenyl)benzonitrile has a molecular weight of 239.27 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methoxyphenyl)benzonitrile is sourced from PubChem (CID 59113876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).