2-methoxy-4-(phenylmethoxymethyl)benzonitrile

C16H15NO2 — CID 106788482

IUPAC2-methoxy-4-(phenylmethoxymethyl)benzonitrile
SMILESCOc1cc(COCc2ccccc2)ccc1C#N
InChIInChI=1S/C16H15NO2/c1-18-16-9-14(7-8-15(16)10-17)12-19-11-13-5-3-2-4-6-13/h2-9H,11-12H2,1H3
InChIKeyOVTZIQPMSGLHBK-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.28
Rot. Bonds5

About 2-methoxy-4-(phenylmethoxymethyl)benzonitrile

2-methoxy-4-(phenylmethoxymethyl)benzonitrile (PubChem CID 106788482) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methoxy-4-(phenylmethoxymethyl)benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-(phenylmethoxymethyl)benzonitrile
PubChem CID106788482
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-methoxy-4-(phenylmethoxymethyl)benzonitrile
SMILESCOc1cc(COCc2ccccc2)ccc1C#N
InChIInChI=1S/C16H15NO2/c1-18-16-9-14(7-8-15(16)10-17)12-19-11-13-5-3-2-4-6-13/h2-9H,11-12H2,1H3
InChIKeyOVTZIQPMSGLHBK-UHFFFAOYSA-N
XLogP3.28
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-(phenylmethoxymethyl)benzonitrile
CID 65343797
4-[(4-bromophenyl)methoxymethyl]-2-methoxybenzonitrile
CID 106788648
2-methoxy-4-(octoxymethyl)benzonitrile
CID 106788564
4-(iodomethyl)-2-methoxybenzonitrile
CID 106794525
4-[[2-(hydroxymethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 106788619
4-[[3-(hydroxymethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 106788603
4-benzylsulfanyl-2-methoxybenzonitrile
CID 156555292
4-(butan-2-yloxymethyl)-2-methoxybenzonitrile
CID 106788590
4-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-2-methoxybenzonitrile
CID 106792150
4-(aminomethyl)-2-phenylmethoxybenzonitrile
CID 22476142
2-methoxy-4-[(2,4,5-trichlorophenoxy)methyl]benzonitrile
CID 106788537
2-methoxy-4-(4-methylpentan-2-yloxymethyl)benzonitrile
CID 106788539

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(phenylmethoxymethyl)benzonitrile?
The IUPAC name of 2-methoxy-4-(phenylmethoxymethyl)benzonitrile (CID 106788482) is 2-methoxy-4-(phenylmethoxymethyl)benzonitrile.
What is the SMILES notation for 2-methoxy-4-(phenylmethoxymethyl)benzonitrile?
The canonical SMILES for 2-methoxy-4-(phenylmethoxymethyl)benzonitrile is COc1cc(COCc2ccccc2)ccc1C#N.
What is the InChIKey of 2-methoxy-4-(phenylmethoxymethyl)benzonitrile?
The InChIKey is OVTZIQPMSGLHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-18-16-9-14(7-8-15(16)10-17)12-19-11-13-5-3-2-4-6-13/h2-9H,11-12H2,1H3.
What are the key properties of 2-methoxy-4-(phenylmethoxymethyl)benzonitrile?
2-methoxy-4-(phenylmethoxymethyl)benzonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(phenylmethoxymethyl)benzonitrile is sourced from PubChem (CID 106788482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).