2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile

C15H15NO2 — CID 11333945

IUPAC2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile
SMILESCOc1ccc(C(C)C#N)c2c(OC)cccc12
InChIInChI=1S/C15H15NO2/c1-10(9-16)11-7-8-13(17-2)12-5-4-6-14(18-3)15(11)12/h4-8,10H,1-3H3
InChIKeyJCJAZMQMENFZCM-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.48
Rot. Bonds3

About 2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile

2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile (PubChem CID 11333945) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile
PubChem CID11333945
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile
SMILESCOc1ccc(C(C)C#N)c2c(OC)cccc12
InChIInChI=1S/C15H15NO2/c1-10(9-16)11-7-8-13(17-2)12-5-4-6-14(18-3)15(11)12/h4-8,10H,1-3H3
InChIKeyJCJAZMQMENFZCM-UHFFFAOYSA-N
XLogP3.48
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,8-dimethoxynaphthalene-1-carbonitrile
CID 86178787
1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride
CID 20541912
2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile
CID 84805082
2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile
CID 16736122
2-(tert-butylamino)-1-(4,8-dimethoxynaphthalen-1-yl)ethanol;hydrochloride
CID 20542041
2-(5-tert-butyl-2-methoxyphenyl)propanenitrile
CID 82079061
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)acetonitrile
CID 63632067
methyl 2-chloro-6-[(1R)-1-cyanoethyl]-3-methoxybenzoate
CID 129410863
2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile
CID 54887599
5-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one
CID 115063414
2-cyclopropyl-2-(2,3-dimethoxyphenyl)acetonitrile
CID 83689906

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile?
The IUPAC name of 2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile (CID 11333945) is 2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile.
What is the SMILES notation for 2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile?
The canonical SMILES for 2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile is COc1ccc(C(C)C#N)c2c(OC)cccc12.
What is the InChIKey of 2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile?
The InChIKey is JCJAZMQMENFZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10(9-16)11-7-8-13(17-2)12-5-4-6-14(18-3)15(11)12/h4-8,10H,1-3H3.
What are the key properties of 2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile?
2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile has a molecular weight of 241.29 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile is sourced from PubChem (CID 11333945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).