4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile

C23H25NO — CID 134953964

IUPAC4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile
SMILESCOc1ccc(/C(=C\C2CCCCC2)c2ccc(C#N)c(C)c2)cc1
InChIInChI=1S/C23H25NO/c1-17-14-20(8-9-21(17)16-24)23(15-18-6-4-3-5-7-18)19-10-12-22(25-2)13-11-19/h8-15,18H,3-7H2,1-2H3/b23-15+
InChIKeyUGBHEPQYCKRWCU-HZHRSRAPSA-N
MW331.46 g/mol
LogP5.89
Rot. Bonds4

About 4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile

4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile (PubChem CID 134953964) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile.

Molecular Properties

Compound Name4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile
PubChem CID134953964
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile
SMILESCOc1ccc(/C(=C\C2CCCCC2)c2ccc(C#N)c(C)c2)cc1
InChIInChI=1S/C23H25NO/c1-17-14-20(8-9-21(17)16-24)23(15-18-6-4-3-5-7-18)19-10-12-22(25-2)13-11-19/h8-15,18H,3-7H2,1-2H3/b23-15+
InChIKeyUGBHEPQYCKRWCU-HZHRSRAPSA-N
XLogP5.89
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 11120345
1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene
CID 54529441
N-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile
CID 176986308
4-(3-cyano-5-methoxyphenoxy)-2-methylbenzonitrile
CID 103566752
6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxy-3-methylpyridine
CID 67396351
1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene
CID 10539088
4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile
CID 172648631
2-[(2-hydroxycyclohexyl)-methylamino]-4-methoxybenzonitrile
CID 102632147
1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116274
(E)-3-(3,5-dimethoxyphenyl)-3-[3-methyl-4-(methylamino)phenyl]prop-2-enenitrile
CID 143199000
1-(1-cyclohexylethenyl)-4-methoxybenzene
CID 122206167
4-cyano-3-methylbenzenecarbothioamide
CID 91875267

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile?
The IUPAC name of 4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile (CID 134953964) is 4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile.
What is the SMILES notation for 4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile?
The canonical SMILES for 4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile is COc1ccc(/C(=C\C2CCCCC2)c2ccc(C#N)c(C)c2)cc1.
What is the InChIKey of 4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile?
The InChIKey is UGBHEPQYCKRWCU-HZHRSRAPSA-N. The full InChI is InChI=1S/C23H25NO/c1-17-14-20(8-9-21(17)16-24)23(15-18-6-4-3-5-7-18)19-10-12-22(25-2)13-11-19/h8-15,18H,3-7H2,1-2H3/b23-15+.
What are the key properties of 4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile?
4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile has a molecular weight of 331.46 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile is sourced from PubChem (CID 134953964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).