2-cyclohexyloxy-2-phenylacetonitrile

C14H17NO — CID 101349721

IUPAC2-cyclohexyloxy-2-phenylacetonitrile
SMILESN#CC(OC1CCCCC1)c1ccccc1
InChIInChI=1S/C14H17NO/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-10H2
InChIKeyYPNHJDZCQRQIKM-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.60
Rot. Bonds3

About 2-cyclohexyloxy-2-phenylacetonitrile

2-cyclohexyloxy-2-phenylacetonitrile (PubChem CID 101349721) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-cyclohexyloxy-2-phenylacetonitrile.

Molecular Properties

Compound Name2-cyclohexyloxy-2-phenylacetonitrile
PubChem CID101349721
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-cyclohexyloxy-2-phenylacetonitrile
SMILESN#CC(OC1CCCCC1)c1ccccc1
InChIInChI=1S/C14H17NO/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-10H2
InChIKeyYPNHJDZCQRQIKM-UHFFFAOYSA-N
XLogP3.60
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-2-phenylacetonitrile?
The IUPAC name of 2-cyclohexyloxy-2-phenylacetonitrile (CID 101349721) is 2-cyclohexyloxy-2-phenylacetonitrile.
What is the SMILES notation for 2-cyclohexyloxy-2-phenylacetonitrile?
The canonical SMILES for 2-cyclohexyloxy-2-phenylacetonitrile is N#CC(OC1CCCCC1)c1ccccc1.
What is the InChIKey of 2-cyclohexyloxy-2-phenylacetonitrile?
The InChIKey is YPNHJDZCQRQIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-10H2.
What are the key properties of 2-cyclohexyloxy-2-phenylacetonitrile?
2-cyclohexyloxy-2-phenylacetonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-2-phenylacetonitrile is sourced from PubChem (CID 101349721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).