2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile

C19H15NO — CID 16736122

IUPAC2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile
SMILESCOc1ccc(C(C#N)c2ccccc2)c2ccccc12
InChIInChI=1S/C19H15NO/c1-21-19-12-11-16(15-9-5-6-10-17(15)19)18(13-20)14-7-3-2-4-8-14/h2-12,18H,1H3
InChIKeyLOTKKZIZBJJBQS-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.50
Rot. Bonds3

About 2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile

2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile (PubChem CID 16736122) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile
PubChem CID16736122
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Name2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile
SMILESCOc1ccc(C(C#N)c2ccccc2)c2ccccc12
InChIInChI=1S/C19H15NO/c1-21-19-12-11-16(15-9-5-6-10-17(15)19)18(13-20)14-7-3-2-4-8-14/h2-12,18H,1H3
InChIKeyLOTKKZIZBJJBQS-UHFFFAOYSA-N
XLogP4.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene
CID 2202790
(3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanenitrile
CID 171260239
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
3,4-dihydroxy-4-(4-methoxynaphthalen-1-yl)butanenitrile
CID 171901774
1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene
CID 63439056
2-anilino-2-(2,3,4-trimethoxyphenyl)acetonitrile
CID 102232248
1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
CID 61101734
2,4-bis(4-methoxynaphthalen-1-yl)pentan-3-one
CID 151420468
2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile
CID 11333945
(4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 43150760
(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanamine
CID 43150794
(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine
CID 29081387

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile?
The IUPAC name of 2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile (CID 16736122) is 2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile.
What is the SMILES notation for 2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile?
The canonical SMILES for 2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile is COc1ccc(C(C#N)c2ccccc2)c2ccccc12.
What is the InChIKey of 2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile?
The InChIKey is LOTKKZIZBJJBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c1-21-19-12-11-16(15-9-5-6-10-17(15)19)18(13-20)14-7-3-2-4-8-14/h2-12,18H,1H3.
What are the key properties of 2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile?
2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile has a molecular weight of 273.34 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile is sourced from PubChem (CID 16736122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).