5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile

C17H15NO2 — CID 175299155

IUPAC5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile
SMILESC=Cc1ccc(OCc2ccc(OC)cc2)c(C#N)c1
InChIInChI=1S/C17H15NO2/c1-3-13-6-9-17(15(10-13)11-18)20-12-14-4-7-16(19-2)8-5-14/h3-10H,1,12H2,2H3
InChIKeyBMPBAWHGJNWAMI-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.79
Rot. Bonds5

About 5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile

5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile (PubChem CID 175299155) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile
PubChem CID175299155
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile
SMILESC=Cc1ccc(OCc2ccc(OC)cc2)c(C#N)c1
InChIInChI=1S/C17H15NO2/c1-3-13-6-9-17(15(10-13)11-18)20-12-14-4-7-16(19-2)8-5-14/h3-10H,1,12H2,2H3
InChIKeyBMPBAWHGJNWAMI-UHFFFAOYSA-N
XLogP3.79
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile
CID 71661271
1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene
CID 54397178
5-bromo-2-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
CID 80698460
5-(3-methoxyphenyl)-2-phenylmethoxybenzonitrile
CID 175686469
2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile
CID 107107472
2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile
CID 22683873
5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile
CID 65341217
5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile
CID 55134763
4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile
CID 26054579
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
4-[[2,4-dibenzoyl-5-[(4-methoxyphenyl)methoxy]phenoxy]methyl]benzonitrile
CID 10325338
3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80509914

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile?
The IUPAC name of 5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile (CID 175299155) is 5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile.
What is the SMILES notation for 5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile?
The canonical SMILES for 5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile is C=Cc1ccc(OCc2ccc(OC)cc2)c(C#N)c1.
What is the InChIKey of 5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile?
The InChIKey is BMPBAWHGJNWAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-3-13-6-9-17(15(10-13)11-18)20-12-14-4-7-16(19-2)8-5-14/h3-10H,1,12H2,2H3.
What are the key properties of 5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile?
5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile has a molecular weight of 265.31 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile is sourced from PubChem (CID 175299155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).