2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile

C16H15NO2 — CID 107107472

IUPAC2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile
SMILESCOc1ccc(COc2c(C)cccc2C#N)cc1
InChIInChI=1S/C16H15NO2/c1-12-4-3-5-14(10-17)16(12)19-11-13-6-8-15(18-2)9-7-13/h3-9H,11H2,1-2H3
InChIKeyOGICWQGAGWABEH-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.45
Rot. Bonds4

About 2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile

2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile (PubChem CID 107107472) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile
PubChem CID107107472
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile
SMILESCOc1ccc(COc2c(C)cccc2C#N)cc1
InChIInChI=1S/C16H15NO2/c1-12-4-3-5-14(10-17)16(12)19-11-13-6-8-15(18-2)9-7-13/h3-9H,11H2,1-2H3
InChIKeyOGICWQGAGWABEH-UHFFFAOYSA-N
XLogP3.45
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methoxy]-3-methylbenzonitrile
CID 107107572
2-(2,2-difluoroethoxy)-3-methylbenzonitrile
CID 107107597
5-[[2-(bromomethyl)-6-methylphenoxy]methyl]-2-methoxybenzonitrile
CID 115956914
3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80509914
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560
2-[(4-methoxyphenyl)methoxy]-6-methylaniline
CID 43381877
5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile
CID 71661271
2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile
CID 86604951
5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile
CID 175299155
4-[(2-tert-butyl-6-methylphenoxy)methyl]benzonitrile
CID 22688350
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 61177256
2-[2-(4-methoxyphenyl)ethyl]benzonitrile
CID 70516707

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile?
The IUPAC name of 2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile (CID 107107472) is 2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile is COc1ccc(COc2c(C)cccc2C#N)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile?
The InChIKey is OGICWQGAGWABEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12-4-3-5-14(10-17)16(12)19-11-13-6-8-15(18-2)9-7-13/h3-9H,11H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile?
2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile is sourced from PubChem (CID 107107472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).