2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile

C17H15N — CID 170560532

IUPAC2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile
SMILESCc1ccc(/C=C/c2ccccc2CC#N)cc1
InChIInChI=1S/C17H15N/c1-14-6-8-15(9-7-14)10-11-16-4-2-3-5-17(16)12-13-18/h2-11H,12H2,1H3/b11-10+
InChIKeyMJKONSQOHUDFFS-ZHACJKMWSA-N
MW233.31 g/mol
LogP4.23
Rot. Bonds3

About 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile

2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile (PubChem CID 170560532) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile
PubChem CID170560532
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile
SMILESCc1ccc(/C=C/c2ccccc2CC#N)cc1
InChIInChI=1S/C17H15N/c1-14-6-8-15(9-7-14)10-11-16-4-2-3-5-17(16)12-13-18/h2-11H,12H2,1H3/b11-10+
InChIKeyMJKONSQOHUDFFS-ZHACJKMWSA-N
XLogP4.23
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]acetonitrile
CID 170560539
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]acetonitrile
CID 170560531
2-[2-(3-oxoprop-1-enyl)phenyl]acetonitrile
CID 54059899
1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 10036098
5-(4-methylphenyl)pent-4-enenitrile
CID 174636399
3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile
CID 67854033
1,4-bis[(Z)-2-(4-methylphenyl)ethenyl]naphthalene
CID 147563124
1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene
CID 10882589
4-methyl-N-[4-[(E)-2-[2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 67043605
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
S-[3-[2-(cyanomethyl)phenyl]prop-2-enyl] ethanethioate
CID 169458306

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile?
The IUPAC name of 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile (CID 170560532) is 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile?
The canonical SMILES for 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile is Cc1ccc(/C=C/c2ccccc2CC#N)cc1.
What is the InChIKey of 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile?
The InChIKey is MJKONSQOHUDFFS-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H15N/c1-14-6-8-15(9-7-14)10-11-16-4-2-3-5-17(16)12-13-18/h2-11H,12H2,1H3/b11-10+.
What are the key properties of 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile?
2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile has a molecular weight of 233.31 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile is sourced from PubChem (CID 170560532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).