3-(3-methoxyphenyl)benzonitrile

C14H11NO — CID 4189594

IUPAC3-(3-methoxyphenyl)benzonitrile
SMILESCOc1cccc(-c2cccc(C#N)c2)c1
InChIInChI=1S/C14H11NO/c1-16-14-7-3-6-13(9-14)12-5-2-4-11(8-12)10-15/h2-9H,1H3
InChIKeyGQVFIMUYNIHKKV-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.23
Rot. Bonds2

About 3-(3-methoxyphenyl)benzonitrile

3-(3-methoxyphenyl)benzonitrile (PubChem CID 4189594) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)benzonitrile.

Molecular Properties

Compound Name3-(3-methoxyphenyl)benzonitrile
PubChem CID4189594
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name3-(3-methoxyphenyl)benzonitrile
SMILESCOc1cccc(-c2cccc(C#N)c2)c1
InChIInChI=1S/C14H11NO/c1-16-14-7-3-6-13(9-14)12-5-2-4-11(8-12)10-15/h2-9H,1H3
InChIKeyGQVFIMUYNIHKKV-UHFFFAOYSA-N
XLogP3.23
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
3-methoxybenzonitrile;thiadiaziridine 1,1-dioxide
CID 174965315
3-(5,6-dimethoxy-3-pyridinyl)benzonitrile
CID 90046523
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799
3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzonitrile
CID 167877413
4-(3-methoxyphenoxy)benzonitrile
CID 15643687
3-(3-methoxybenzenecarboximidoyl)benzonitrile
CID 175142380
2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile
CID 171919375
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567167

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)benzonitrile?
The IUPAC name of 3-(3-methoxyphenyl)benzonitrile (CID 4189594) is 3-(3-methoxyphenyl)benzonitrile.
What is the SMILES notation for 3-(3-methoxyphenyl)benzonitrile?
The canonical SMILES for 3-(3-methoxyphenyl)benzonitrile is COc1cccc(-c2cccc(C#N)c2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)benzonitrile?
The InChIKey is GQVFIMUYNIHKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-16-14-7-3-6-13(9-14)12-5-2-4-11(8-12)10-15/h2-9H,1H3.
What are the key properties of 3-(3-methoxyphenyl)benzonitrile?
3-(3-methoxyphenyl)benzonitrile has a molecular weight of 209.25 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)benzonitrile is sourced from PubChem (CID 4189594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).