3-phenylmethoxybenzonitrile

C14H11NO — CID 561329

IUPAC3-phenylmethoxybenzonitrile
SMILESN#Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C14H11NO/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9H,11H2
InChIKeyVLZQTLUSPQUQLC-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.14
Rot. Bonds3

About 3-phenylmethoxybenzonitrile

3-phenylmethoxybenzonitrile (PubChem CID 561329) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-phenylmethoxybenzonitrile.

Molecular Properties

Compound Name3-phenylmethoxybenzonitrile
PubChem CID561329
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name3-phenylmethoxybenzonitrile
SMILESN#Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C14H11NO/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9H,11H2
InChIKeyVLZQTLUSPQUQLC-UHFFFAOYSA-N
XLogP3.14
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxybenzonitrile?
The IUPAC name of 3-phenylmethoxybenzonitrile (CID 561329) is 3-phenylmethoxybenzonitrile.
What is the SMILES notation for 3-phenylmethoxybenzonitrile?
The canonical SMILES for 3-phenylmethoxybenzonitrile is N#Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 3-phenylmethoxybenzonitrile?
The InChIKey is VLZQTLUSPQUQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9H,11H2.
What are the key properties of 3-phenylmethoxybenzonitrile?
3-phenylmethoxybenzonitrile has a molecular weight of 209.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxybenzonitrile is sourced from PubChem (CID 561329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).