6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile

C20H17NO2 — CID 71514389

IUPAC6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile
SMILESCOc1cc2ccc(-c3cccc(C)c3)c(C#N)c2cc1OC
InChIInChI=1S/C20H17NO2/c1-13-5-4-6-14(9-13)16-8-7-15-10-19(22-2)20(23-3)11-17(15)18(16)12-21/h4-11H,1-3H3
InChIKeyXIJQGEKVPUGGBX-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.70
Rot. Bonds3

About 6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile

6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile (PubChem CID 71514389) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile
PubChem CID71514389
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile
SMILESCOc1cc2ccc(-c3cccc(C)c3)c(C#N)c2cc1OC
InChIInChI=1S/C20H17NO2/c1-13-5-4-6-14(9-13)16-8-7-15-10-19(22-2)20(23-3)11-17(15)18(16)12-21/h4-11H,1-3H3
InChIKeyXIJQGEKVPUGGBX-UHFFFAOYSA-N
XLogP4.70
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)naphthalene-1-carbonitrile
CID 71514383
2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5230020
6,7-dimethoxynaphthalene-1-carbonitrile
CID 67115291
3-(2-methoxy-5-methylphenyl)benzonitrile
CID 39245698
5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile
CID 11077097
6,7-dimethoxy-2-phenylnaphthalen-1-amine
CID 11208231
2-amino-6-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 4632984
10-(3-methylphenyl)anthracene-9-carbonitrile
CID 170561667
2,3-dimethoxynaphthalene-1-carbonitrile
CID 177120866
4,5-dimethoxy-2-(3-methylphenyl)benzaldehyde
CID 54912502
9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene
CID 145448133
4-methoxy-3-(3-methylphenyl)aniline
CID 39243259

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile?
The IUPAC name of 6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile (CID 71514389) is 6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile.
What is the SMILES notation for 6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile?
The canonical SMILES for 6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile is COc1cc2ccc(-c3cccc(C)c3)c(C#N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile?
The InChIKey is XIJQGEKVPUGGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-13-5-4-6-14(9-13)16-8-7-15-10-19(22-2)20(23-3)11-17(15)18(16)12-21/h4-11H,1-3H3.
What are the key properties of 6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile?
6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile has a molecular weight of 303.36 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile is sourced from PubChem (CID 71514389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).