(2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile

C19H15NO — CID 94037815

IUPAC(2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile
SMILESN#C[C@H](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/t19-/m0/s1
InChIKeySLMXQIWKVZNVSR-IBGZPJMESA-N
MW273.33 g/mol
LogP4.62
Rot. Bonds4

About (2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile

(2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile (PubChem CID 94037815) has the molecular formula C19H15NO and a molecular weight of 273.33 g/mol. Its IUPAC name is (2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile.

Molecular Properties

Compound Name(2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile
PubChem CID94037815
Molecular FormulaC19H15NO
Molecular Weight273.33 g/mol
Exact Mass273.12
IUPAC Name(2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile
SMILESN#C[C@H](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/t19-/m0/s1
InChIKeySLMXQIWKVZNVSR-IBGZPJMESA-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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Related Compounds

6b,7a-Dihydrobenzo(10,11)chryseno(1,2-b)oxirene
CID 37455
2-(Naphthalen-2-yl)oxirane
CID 30333
8b,9a-Dihydropyreno(4,5-b)oxirene
CID 108016
1a,11b-Dihydrochryseno(5,6-b)oxirene
CID 27062
1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile
CID 9856159
Benzo(c)phenanthrene 5,6-oxide
CID 124722
9-Anthryloxirane
CID 43720
1-Pyrenyloxirane
CID 100333
Benz(3,4)anthra(1,2-b)oxirene, 1a,11b-dihydro-, (1aS)-
CID 188169
2-Methoxy-2-(2-naphthyl)acetonitrile
CID 10104166
2-Ethoxy-2-(2-naphthyl)acetonitrile
CID 10262571
2-(2-Naphthyl)-2-(pentyloxy)acetonitrile
CID 10400018

Frequently Asked Questions

What is the IUPAC name of (2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile?
The IUPAC name of (2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile (CID 94037815) is (2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile.
What is the SMILES notation for (2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile?
The canonical SMILES for (2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile is N#C[C@H](OCc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile?
The InChIKey is SLMXQIWKVZNVSR-IBGZPJMESA-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/t19-/m0/s1.
What are the key properties of (2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile?
(2R)-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 (2R)-2-naphthalen-2-yl-2-phenylmethoxyacetonitrile is sourced from PubChem (CID 94037815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).