2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile

C16H15NO2 — CID 171919375

IUPAC2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile
SMILESCOc1cccc(-c2cc(C)c(OC)c(C#N)c2)c1
InChIInChI=1S/C16H15NO2/c1-11-7-13(8-14(10-17)16(11)19-3)12-5-4-6-15(9-12)18-2/h4-9H,1-3H3
InChIKeyWZKZPUDLAVKOFS-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.55
Rot. Bonds3

About 2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile

2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile (PubChem CID 171919375) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile.

Molecular Properties

Compound Name2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile
PubChem CID171919375
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile
SMILESCOc1cccc(-c2cc(C)c(OC)c(C#N)c2)c1
InChIInChI=1S/C16H15NO2/c1-11-7-13(8-14(10-17)16(11)19-3)12-5-4-6-15(9-12)18-2/h4-9H,1-3H3
InChIKeyWZKZPUDLAVKOFS-UHFFFAOYSA-N
XLogP3.55
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3-methyl-5-(3-methylsulfonylphenyl)benzonitrile
CID 171919378
2-(3-methoxyphenyl)-3-methylbenzonitrile
CID 172915337
3-(3-methoxyphenyl)-1-methylnaphthalene
CID 59399504
3-(3-methoxyphenyl)benzonitrile
CID 4189594
4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile
CID 172914645
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 82114912
5-(3-methoxyphenyl)-2-phenylmethoxybenzonitrile
CID 175686469
5-amino-2-(3-methoxyphenyl)benzonitrile
CID 171663277
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile?
The IUPAC name of 2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile (CID 171919375) is 2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile.
What is the SMILES notation for 2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile?
The canonical SMILES for 2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile is COc1cccc(-c2cc(C)c(OC)c(C#N)c2)c1.
What is the InChIKey of 2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile?
The InChIKey is WZKZPUDLAVKOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-7-13(8-14(10-17)16(11)19-3)12-5-4-6-15(9-12)18-2/h4-9H,1-3H3.
What are the key properties of 2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile?
2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile is sourced from PubChem (CID 171919375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).