2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile

C20H17NO — CID 82139768

IUPAC2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile
SMILESCOc1ccccc1C(C#N)Cc1cccc2ccccc12
InChIInChI=1S/C20H17NO/c1-22-20-12-5-4-11-19(20)17(14-21)13-16-9-6-8-15-7-2-3-10-18(15)16/h2-12,17H,13H2,1H3
InChIKeyZQIAOBBESSYHGI-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.70
Rot. Bonds4

About 2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile

2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile (PubChem CID 82139768) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile
PubChem CID82139768
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile
SMILESCOc1ccccc1C(C#N)Cc1cccc2ccccc12
InChIInChI=1S/C20H17NO/c1-22-20-12-5-4-11-19(20)17(14-21)13-16-9-6-8-15-7-2-3-10-18(15)16/h2-12,17H,13H2,1H3
InChIKeyZQIAOBBESSYHGI-UHFFFAOYSA-N
XLogP4.70
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile
CID 82139778
3-amino-2-(2-methoxyphenyl)propanenitrile
CID 82503443
3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile
CID 82141211
2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile
CID 82084081
3-methyl-2-(naphthalen-1-ylmethyl)butanenitrile
CID 116931776
(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059
3-(2,5-dimethylphenyl)-2-naphthalen-1-ylpropanenitrile
CID 82141330
4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137685
4-[2-cyano-2-(2-methoxyphenyl)ethyl]benzoic acid
CID 82139690
3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide
CID 82127316
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile
CID 82140863
methanol;1-methoxynaphthalene;neptunium
CID 157299455

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile?
The IUPAC name of 2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile (CID 82139768) is 2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile is COc1ccccc1C(C#N)Cc1cccc2ccccc12.
What is the InChIKey of 2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile?
The InChIKey is ZQIAOBBESSYHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c1-22-20-12-5-4-11-19(20)17(14-21)13-16-9-6-8-15-7-2-3-10-18(15)16/h2-12,17H,13H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile?
2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile has a molecular weight of 287.36 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile is sourced from PubChem (CID 82139768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).