2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile

C17H15NO — CID 158755181

IUPAC2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile
SMILESN#CC(c1cccc(Oc2ccccc2)c1)C1CC1
InChIInChI=1S/C17H15NO/c18-12-17(13-9-10-13)14-5-4-8-16(11-14)19-15-6-2-1-3-7-15/h1-8,11,13,17H,9-10H2
InChIKeyINZBSHWRYCOTEP-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.50
Rot. Bonds4

About 2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile

2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile (PubChem CID 158755181) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile
PubChem CID158755181
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile
SMILESN#CC(c1cccc(Oc2ccccc2)c1)C1CC1
InChIInChI=1S/C17H15NO/c18-12-17(13-9-10-13)14-5-4-8-16(11-14)19-15-6-2-1-3-7-15/h1-8,11,13,17H,9-10H2
InChIKeyINZBSHWRYCOTEP-UHFFFAOYSA-N
XLogP4.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile?
The IUPAC name of 2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile (CID 158755181) is 2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile?
The canonical SMILES for 2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile is N#CC(c1cccc(Oc2ccccc2)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile?
The InChIKey is INZBSHWRYCOTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c18-12-17(13-9-10-13)14-5-4-8-16(11-14)19-15-6-2-1-3-7-15/h1-8,11,13,17H,9-10H2.
What are the key properties of 2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile?
2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile has a molecular weight of 249.31 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile is sourced from PubChem (CID 158755181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).