4,8-dimethoxynaphthalene-1-carbonitrile

C13H11NO2 — CID 86178787

IUPAC4,8-dimethoxynaphthalene-1-carbonitrile
SMILESCOc1ccc(C#N)c2c(OC)cccc12
InChIInChI=1S/C13H11NO2/c1-15-11-7-6-9(8-14)13-10(11)4-3-5-12(13)16-2/h3-7H,1-2H3
InChIKeyLHSQZIOSMVUCTQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.73
Rot. Bonds2

About 4,8-dimethoxynaphthalene-1-carbonitrile

4,8-dimethoxynaphthalene-1-carbonitrile (PubChem CID 86178787) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4,8-dimethoxynaphthalene-1-carbonitrile.

Molecular Properties

Compound Name4,8-dimethoxynaphthalene-1-carbonitrile
PubChem CID86178787
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name4,8-dimethoxynaphthalene-1-carbonitrile
SMILESCOc1ccc(C#N)c2c(OC)cccc12
InChIInChI=1S/C13H11NO2/c1-15-11-7-6-9(8-14)13-10(11)4-3-5-12(13)16-2/h3-7H,1-2H3
InChIKeyLHSQZIOSMVUCTQ-UHFFFAOYSA-N
XLogP2.73
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116
2-(4,8-dimethoxynaphthalen-1-yl)propanenitrile
CID 11333945
methyl 5-cyano-8-methoxynaphthalene-1-carboxylate
CID 70552913
3,4-dimethoxy-2-phenylbenzonitrile
CID 67635985
2-methoxynaphthalene-1,4-dicarbonitrile
CID 169050362
4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine
CID 123748583
4-methoxy-1-benzothiophene-7-carbonitrile
CID 68709277
7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile
CID 69372063
2-cyclopentyloxy-3-methoxybenzonitrile
CID 117309455
4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile
CID 15889206
2-ethyl-3-methoxybenzonitrile
CID 91882343
4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile
CID 69374001

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethoxynaphthalene-1-carbonitrile?
The IUPAC name of 4,8-dimethoxynaphthalene-1-carbonitrile (CID 86178787) is 4,8-dimethoxynaphthalene-1-carbonitrile.
What is the SMILES notation for 4,8-dimethoxynaphthalene-1-carbonitrile?
The canonical SMILES for 4,8-dimethoxynaphthalene-1-carbonitrile is COc1ccc(C#N)c2c(OC)cccc12.
What is the InChIKey of 4,8-dimethoxynaphthalene-1-carbonitrile?
The InChIKey is LHSQZIOSMVUCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-15-11-7-6-9(8-14)13-10(11)4-3-5-12(13)16-2/h3-7H,1-2H3.
What are the key properties of 4,8-dimethoxynaphthalene-1-carbonitrile?
4,8-dimethoxynaphthalene-1-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethoxynaphthalene-1-carbonitrile is sourced from PubChem (CID 86178787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).