(E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile

C17H15NO — CID 21374748

IUPAC(E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
SMILESCOc1ccccc1/C=C(/C#N)c1ccc(C)cc1
InChIInChI=1S/C17H15NO/c1-13-7-9-14(10-8-13)16(12-18)11-15-5-3-4-6-17(15)19-2/h3-11H,1-2H3/b16-11-
InChIKeyYHSDTJBWUVUYMO-WJDWOHSUSA-N
MW249.31 g/mol
LogP4.07
Rot. Bonds3

About (E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile

(E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile (PubChem CID 21374748) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
PubChem CID21374748
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
SMILESCOc1ccccc1/C=C(/C#N)c1ccc(C)cc1
InChIInChI=1S/C17H15NO/c1-13-7-9-14(10-8-13)16(12-18)11-15-5-3-4-6-17(15)19-2/h3-11H,1-2H3/b16-11-
InChIKeyYHSDTJBWUVUYMO-WJDWOHSUSA-N
XLogP4.07
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile
CID 101032566
(E)-2-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enenitrile
CID 102248892
(Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
CID 124652517
3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile
CID 2243607
(Z)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-2-(4-methylphenyl)prop-2-enenitrile
CID 124652519
(E)-3-[2-(2,4-dichlorophenoxy)phenyl]-2-(4-methylphenyl)prop-2-enenitrile
CID 6518134
(Z)-3-[4-[(Z)-2-cyano-2-[4-[6-(4-methylphenoxy)hexoxy]phenyl]ethenyl]-2,5-dimethoxyphenyl]-2-[4-[6-(4-methylphenoxy)hexoxy]phenyl]prop-2-enenitrile
CID 132967053
2-[2-[(E)-2-cyano-2-(4-methylphenyl)ethenyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 21375431
2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 716077
2-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enenitrile
CID 2975737
(E)-2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enenitrile
CID 912018
(Z)-2-[4-[(Z)-1-cyano-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enenitrile
CID 6005345

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile?
The IUPAC name of (E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile (CID 21374748) is (E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile is COc1ccccc1/C=C(/C#N)c1ccc(C)cc1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile?
The InChIKey is YHSDTJBWUVUYMO-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H15NO/c1-13-7-9-14(10-8-13)16(12-18)11-15-5-3-4-6-17(15)19-2/h3-11H,1-2H3/b16-11-.
What are the key properties of (E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile?
(E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile has a molecular weight of 249.31 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile is sourced from PubChem (CID 21374748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).