2-methoxy-4-phenylbenzonitrile

C14H11NO — CID 46314743

IUPAC2-methoxy-4-phenylbenzonitrile
SMILESCOc1cc(-c2ccccc2)ccc1C#N
InChIInChI=1S/C14H11NO/c1-16-14-9-12(7-8-13(14)10-15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyDZVBZHBSBZRLES-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.23
Rot. Bonds2

About 2-methoxy-4-phenylbenzonitrile

2-methoxy-4-phenylbenzonitrile (PubChem CID 46314743) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methoxy-4-phenylbenzonitrile.

Molecular Properties

Compound Name2-methoxy-4-phenylbenzonitrile
PubChem CID46314743
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name2-methoxy-4-phenylbenzonitrile
SMILESCOc1cc(-c2ccccc2)ccc1C#N
InChIInChI=1S/C14H11NO/c1-16-14-9-12(7-8-13(14)10-15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyDZVBZHBSBZRLES-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-phenylbenzonitrile?
The IUPAC name of 2-methoxy-4-phenylbenzonitrile (CID 46314743) is 2-methoxy-4-phenylbenzonitrile.
What is the SMILES notation for 2-methoxy-4-phenylbenzonitrile?
The canonical SMILES for 2-methoxy-4-phenylbenzonitrile is COc1cc(-c2ccccc2)ccc1C#N.
What is the InChIKey of 2-methoxy-4-phenylbenzonitrile?
The InChIKey is DZVBZHBSBZRLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-16-14-9-12(7-8-13(14)10-15)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 2-methoxy-4-phenylbenzonitrile?
2-methoxy-4-phenylbenzonitrile 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 2-methoxy-4-phenylbenzonitrile is sourced from PubChem (CID 46314743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).