2-(3-phenylmethoxyphenyl)acetonitrile

C15H13NO — CID 519831

IUPAC2-(3-phenylmethoxyphenyl)acetonitrile
SMILESN#CCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H13NO/c16-10-9-13-7-4-8-15(11-13)17-12-14-5-2-1-3-6-14/h1-8,11H,9,12H2
InChIKeyCKZFVIPFANUBDW-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.33
Rot. Bonds4

About 2-(3-phenylmethoxyphenyl)acetonitrile

2-(3-phenylmethoxyphenyl)acetonitrile (PubChem CID 519831) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(3-phenylmethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-phenylmethoxyphenyl)acetonitrile
PubChem CID519831
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name2-(3-phenylmethoxyphenyl)acetonitrile
SMILESN#CCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H13NO/c16-10-9-13-7-4-8-15(11-13)17-12-14-5-2-1-3-6-14/h1-8,11H,9,12H2
InChIKeyCKZFVIPFANUBDW-UHFFFAOYSA-N
XLogP3.33
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxyphenyl)acetonitrile?
The IUPAC name of 2-(3-phenylmethoxyphenyl)acetonitrile (CID 519831) is 2-(3-phenylmethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(3-phenylmethoxyphenyl)acetonitrile?
The canonical SMILES for 2-(3-phenylmethoxyphenyl)acetonitrile is N#CCc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(3-phenylmethoxyphenyl)acetonitrile?
The InChIKey is CKZFVIPFANUBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c16-10-9-13-7-4-8-15(11-13)17-12-14-5-2-1-3-6-14/h1-8,11H,9,12H2.
What are the key properties of 2-(3-phenylmethoxyphenyl)acetonitrile?
2-(3-phenylmethoxyphenyl)acetonitrile has a molecular weight of 223.27 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxyphenyl)acetonitrile is sourced from PubChem (CID 519831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).