2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile

C17H16FNO — CID 82092833

IUPAC2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile
SMILESCOc1ccc(C(C#N)Cc2ccc(C)cc2)cc1F
InChIInChI=1S/C17H16FNO/c1-12-3-5-13(6-4-12)9-15(11-19)14-7-8-17(20-2)16(18)10-14/h3-8,10,15H,9H2,1-2H3
InChIKeyYUBGHTDOEJYJMP-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.99
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile

2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile (PubChem CID 82092833) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile
PubChem CID82092833
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile
SMILESCOc1ccc(C(C#N)Cc2ccc(C)cc2)cc1F
InChIInChI=1S/C17H16FNO/c1-12-3-5-13(6-4-12)9-15(11-19)14-7-8-17(20-2)16(18)10-14/h3-8,10,15H,9H2,1-2H3
InChIKeyYUBGHTDOEJYJMP-UHFFFAOYSA-N
XLogP3.99
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile
CID 82087236
2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile
CID 82140756
[2-(3-fluoro-4-methoxyphenyl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194332
3-(4-tert-butylphenyl)-2-(3-chloro-4-methoxyphenyl)propanenitrile
CID 82140135
1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine
CID 81284853
4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284003
3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140609
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453
2-(4-methylphenyl)-3-(4-nitrophenyl)propanenitrile
CID 82139969
2-(3-fluoro-4-methoxyphenyl)-2-(prop-2-ynylamino)acetonitrile
CID 65096153
3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973653
2-(3-fluoro-4-methoxyphenyl)-3-oxopentanenitrile
CID 82114447

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile (CID 82092833) is 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile is COc1ccc(C(C#N)Cc2ccc(C)cc2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile?
The InChIKey is YUBGHTDOEJYJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-12-3-5-13(6-4-12)9-15(11-19)14-7-8-17(20-2)16(18)10-14/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile?
2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile has a molecular weight of 269.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile is sourced from PubChem (CID 82092833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).