5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile

C19H15NO2 — CID 11077097

IUPAC5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile
SMILESCOc1ccc2c(C#N)c(-c3ccccc3)ccc2c1OC
InChIInChI=1S/C19H15NO2/c1-21-18-11-10-15-16(19(18)22-2)9-8-14(17(15)12-20)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyGHUHVQHGFZNCCO-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.40
Rot. Bonds3

About 5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile

5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile (PubChem CID 11077097) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile.

Molecular Properties

Compound Name5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile
PubChem CID11077097
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile
SMILESCOc1ccc2c(C#N)c(-c3ccccc3)ccc2c1OC
InChIInChI=1S/C19H15NO2/c1-21-18-11-10-15-16(19(18)22-2)9-8-14(17(15)12-20)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyGHUHVQHGFZNCCO-UHFFFAOYSA-N
XLogP4.40
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-diphenylbenzene-1,2-dicarbonitrile
CID 10945840
3,4-dimethoxy-2-phenylbenzonitrile
CID 67635985
adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)
CID 175349946
4-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 15011206
2-methoxy-3-phenylbenzonitrile
CID 91276072
5,6-dimethoxy-1,3-diphenylnaphthalen-2-ol
CID 10915274
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile
CID 70227227
6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile
CID 71514389
1,2-dimethoxy-5,11-diphenylchrysene
CID 87132539
2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922
4-methoxy-2,5-diphenyl-1H-pyrrole-3-carbonitrile
CID 15398786

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile?
The IUPAC name of 5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile (CID 11077097) is 5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile.
What is the SMILES notation for 5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile?
The canonical SMILES for 5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile is COc1ccc2c(C#N)c(-c3ccccc3)ccc2c1OC.
What is the InChIKey of 5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile?
The InChIKey is GHUHVQHGFZNCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c1-21-18-11-10-15-16(19(18)22-2)9-8-14(17(15)12-20)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile?
5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile has a molecular weight of 289.33 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile is sourced from PubChem (CID 11077097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).