2-naphthalen-2-yl-2-phenylmethoxyacetonitrile

C19H15NO — CID 10468522

IUPAC2-naphthalen-2-yl-2-phenylmethoxyacetonitrile
SMILESN#CC(OCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H15NO/c20-13-19(21-14-15-6-2-1-3-7-15)18-11-10-16-8-4-5-9-17(16)12-18/h1-12,19H,14H2
InChIKeySLMXQIWKVZNVSR-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.62
Rot. Bonds4

About 2-naphthalen-2-yl-2-phenylmethoxyacetonitrile

2-naphthalen-2-yl-2-phenylmethoxyacetonitrile (PubChem CID 10468522) has the molecular formula C19H15NO and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-naphthalen-2-yl-2-phenylmethoxyacetonitrile.

Molecular Properties

Compound Name2-naphthalen-2-yl-2-phenylmethoxyacetonitrile
PubChem CID10468522
Molecular FormulaC19H15NO
Molecular Weight273.33 g/mol
Exact Mass273.12
IUPAC Name2-naphthalen-2-yl-2-phenylmethoxyacetonitrile
SMILESN#CC(OCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H15NO/c20-13-19(21-14-15-6-2-1-3-7-15)18-11-10-16-8-4-5-9-17(16)12-18/h1-12,19H,14H2
InChIKeySLMXQIWKVZNVSR-UHFFFAOYSA-N
XLogP4.62
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-2-phenylmethoxyacetonitrile?
The IUPAC name of 2-naphthalen-2-yl-2-phenylmethoxyacetonitrile (CID 10468522) is 2-naphthalen-2-yl-2-phenylmethoxyacetonitrile.
What is the SMILES notation for 2-naphthalen-2-yl-2-phenylmethoxyacetonitrile?
The canonical SMILES for 2-naphthalen-2-yl-2-phenylmethoxyacetonitrile is N#CC(OCc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-2-phenylmethoxyacetonitrile?
The InChIKey is SLMXQIWKVZNVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c20-13-19(21-14-15-6-2-1-3-7-15)18-11-10-16-8-4-5-9-17(16)12-18/h1-12,19H,14H2.
What are the key properties of 2-naphthalen-2-yl-2-phenylmethoxyacetonitrile?
2-naphthalen-2-yl-2-phenylmethoxyacetonitrile has a molecular weight of 273.33 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-2-phenylmethoxyacetonitrile is sourced from PubChem (CID 10468522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).