2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile

C18H19NO — CID 82091793

IUPAC2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile
SMILESCOc1ccc(C(C#N)Cc2ccccc2C)cc1C
InChIInChI=1S/C18H19NO/c1-13-6-4-5-7-15(13)11-17(12-19)16-8-9-18(20-3)14(2)10-16/h4-10,17H,11H2,1-3H3
InChIKeyBPFZRPNLUSSPSB-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.16
Rot. Bonds4

About 2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile

2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile (PubChem CID 82091793) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile
PubChem CID82091793
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile
SMILESCOc1ccc(C(C#N)Cc2ccccc2C)cc1C
InChIInChI=1S/C18H19NO/c1-13-6-4-5-7-15(13)11-17(12-19)16-8-9-18(20-3)14(2)10-16/h4-10,17H,11H2,1-3H3
InChIKeyBPFZRPNLUSSPSB-UHFFFAOYSA-N
XLogP4.16
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile
CID 82084685
N-ethyl-1-(4-methoxy-3-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 43493617
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylphenyl)propanenitrile
CID 82139922
(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 42058451
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile
CID 82140863
2-(4-methoxy-3-methylphenyl)-4-methyl-3-oxopentanenitrile
CID 82115822
3-[1-cyano-2-(5-fluoro-2-methoxyphenyl)ethyl]benzonitrile
CID 82141934
3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile
CID 82141674
2-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081069
3-(2,5-dimethylphenyl)-2-phenylpropanenitrile
CID 82141321
2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 103376060
2-(5-fluoro-2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile
CID 82139778

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile (CID 82091793) is 2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile is COc1ccc(C(C#N)Cc2ccccc2C)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile?
The InChIKey is BPFZRPNLUSSPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-6-4-5-7-15(13)11-17(12-19)16-8-9-18(20-3)14(2)10-16/h4-10,17H,11H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile?
2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile has a molecular weight of 265.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile is sourced from PubChem (CID 82091793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).