8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile

C20H19NO — CID 70453800

IUPAC8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile
SMILESCCc1ccccc1-c1ccc(OC)c2c1C(C#N)=CCC2
InChIInChI=1S/C20H19NO/c1-3-14-7-4-5-9-16(14)17-11-12-19(22-2)18-10-6-8-15(13-21)20(17)18/h4-5,7-9,11-12H,3,6,10H2,1-2H3
InChIKeyXMYMDXBIAAJWGD-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.78
Rot. Bonds3

About 8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile

8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile (PubChem CID 70453800) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile
PubChem CID70453800
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile
SMILESCCc1ccccc1-c1ccc(OC)c2c1C(C#N)=CCC2
InChIInChI=1S/C20H19NO/c1-3-14-7-4-5-9-16(14)17-11-12-19(22-2)18-10-6-8-15(13-21)20(17)18/h4-5,7-9,11-12H,3,6,10H2,1-2H3
InChIKeyXMYMDXBIAAJWGD-UHFFFAOYSA-N
XLogP4.78
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one
CID 132600226
6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 91468164
2-(4-methoxy-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)benzoic acid
CID 86021263
2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile
CID 84770381
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174
8-ethoxy-5-methoxy-4-nitro-1,2-dihydronaphthalene
CID 139831362
1,2-dimethoxybiphenylene;isocyanic acid
CID 87379313
3-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanenitrile
CID 84778473
ethane;2-[2-ethyl-4-(1-hydroxyethenyl)phenyl]benzonitrile
CID 143634115
ethyl (2Z)-2-cyano-2-(4,5-dimethoxy-2,3-dihydroinden-1-ylidene)acetate
CID 5354444
2-(2-ethyl-3,4-dimethoxyphenyl)acetonitrile
CID 14346520
2-(3-ethyl-4-methoxyanilino)acetonitrile
CID 115130737

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile?
The IUPAC name of 8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile (CID 70453800) is 8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile.
What is the SMILES notation for 8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile?
The canonical SMILES for 8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile is CCc1ccccc1-c1ccc(OC)c2c1C(C#N)=CCC2.
What is the InChIKey of 8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile?
The InChIKey is XMYMDXBIAAJWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-3-14-7-4-5-9-16(14)17-11-12-19(22-2)18-10-6-8-15(13-21)20(17)18/h4-5,7-9,11-12H,3,6,10H2,1-2H3.
What are the key properties of 8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile?
8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile has a molecular weight of 289.38 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethylphenyl)-5-methoxy-3,4-dihydronaphthalene-1-carbonitrile is sourced from PubChem (CID 70453800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).