1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile

C15H12N2O2 — CID 102300495

IUPAC1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile
SMILESCOc1c(C#N)c(C#N)c(OC)c2c(C)cccc12
InChIInChI=1S/C15H12N2O2/c1-9-5-4-6-10-13(9)15(19-3)12(8-17)11(7-16)14(10)18-2/h4-6H,1-3H3
InChIKeyOJFXHDIVOJURDA-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.91
Rot. Bonds2

About 1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile

1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile (PubChem CID 102300495) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile.

Molecular Properties

Compound Name1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile
PubChem CID102300495
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile
SMILESCOc1c(C#N)c(C#N)c(OC)c2c(C)cccc12
InChIInChI=1S/C15H12N2O2/c1-9-5-4-6-10-13(9)15(19-3)12(8-17)11(7-16)14(10)18-2/h4-6H,1-3H3
InChIKeyOJFXHDIVOJURDA-UHFFFAOYSA-N
XLogP2.91
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-5-methylnaphthalene-1,4-diol
CID 21399669
1,3,4-trimethoxy-8-methylnaphthalene-2-carboxylic acid
CID 68764858
1,12-dimethylbenzo[c]phenanthrene-5,8-dicarbonitrile
CID 15360951
1,5,12-trimethyltriphenylene
CID 102264978
9-methoxy-4,5-dimethylbenzo[f][1]benzofuran
CID 162989540
2-(1-methoxyethyl)-6-methylbenzonitrile
CID 21022052
2-methoxynaphthalene-1,4-dicarbonitrile
CID 169050362
2-[4-(4-methoxyphenyl)phenoxy]-6-methylbenzonitrile
CID 59383233
2,3-dimethoxynaphthalene-1-carbonitrile
CID 177120866
2,4,5,6-tetrakis(1,8-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 122552306
2-(methoxymethoxy)-6-methylbenzonitrile
CID 58963842
4-chloro-2,3-dimethoxy-6-methylbenzonitrile
CID 117302239

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile?
The IUPAC name of 1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile (CID 102300495) is 1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile.
What is the SMILES notation for 1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile?
The canonical SMILES for 1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile is COc1c(C#N)c(C#N)c(OC)c2c(C)cccc12.
What is the InChIKey of 1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile?
The InChIKey is OJFXHDIVOJURDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-5-4-6-10-13(9)15(19-3)12(8-17)11(7-16)14(10)18-2/h4-6H,1-3H3.
What are the key properties of 1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile?
1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile has a molecular weight of 252.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile is sourced from PubChem (CID 102300495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).