(E)-2-(4-cyclobutylphenyl)-3-(4-hydroxyphenyl)but-2-enedinitrile

C20H16N2O — CID 163585462

IUPAC(E)-2-(4-cyclobutylphenyl)-3-(4-hydroxyphenyl)but-2-enedinitrile
SMILESN#C/C(=C(/C#N)c1ccc(C2CCC2)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H16N2O/c21-12-19(20(13-22)17-8-10-18(23)11-9-17)16-6-4-15(5-7-16)14-2-1-3-14/h4-11,14,23H,1-3H2/b20-19+
InChIKeyGLCHJWVZPYVRRR-FMQUCBEESA-N
MW300.36 g/mol
LogP4.62
Rot. Bonds3

About (E)-2-(4-cyclobutylphenyl)-3-(4-hydroxyphenyl)but-2-enedinitrile

(E)-2-(4-cyclobutylphenyl)-3-(4-hydroxyphenyl)but-2-enedinitrile (PubChem CID 163585462) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is (E)-2-(4-cyclobutylphenyl)-3-(4-hydroxyphenyl)but-2-enedinitrile.

Molecular Properties

Compound Name(E)-2-(4-cyclobutylphenyl)-3-(4-hydroxyphenyl)but-2-enedinitrile
PubChem CID163585462
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name(E)-2-(4-cyclobutylphenyl)-3-(4-hydroxyphenyl)but-2-enedinitrile
SMILESN#C/C(=C(/C#N)c1ccc(C2CCC2)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H16N2O/c21-12-19(20(13-22)17-8-10-18(23)11-9-17)16-6-4-15(5-7-16)14-2-1-3-14/h4-11,14,23H,1-3H2/b20-19+
InChIKeyGLCHJWVZPYVRRR-FMQUCBEESA-N
XLogP4.62
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-cyclobutylphenyl)-3-(4-hydroxyphenyl)but-2-enedinitrile?
The IUPAC name of (E)-2-(4-cyclobutylphenyl)-3-(4-hydroxyphenyl)but-2-enedinitrile (CID 163585462) is (E)-2-(4-cyclobutylphenyl)-3-(4-hydroxyphenyl)but-2-enedinitrile.
What is the SMILES notation for (E)-2-(4-cyclobutylphenyl)-3-(4-hydroxyphenyl)but-2-enedinitrile?
The canonical SMILES for (E)-2-(4-cyclobutylphenyl)-3-(4-hydroxyphenyl)but-2-enedinitrile is N#C/C(=C(/C#N)c1ccc(C2CCC2)cc1)c1ccc(O)cc1.
What is the InChIKey of (E)-2-(4-cyclobutylphenyl)-3-(4-hydroxyphenyl)but-2-enedinitrile?
The InChIKey is GLCHJWVZPYVRRR-FMQUCBEESA-N. The full InChI is InChI=1S/C20H16N2O/c21-12-19(20(13-22)17-8-10-18(23)11-9-17)16-6-4-15(5-7-16)14-2-1-3-14/h4-11,14,23H,1-3H2/b20-19+.
What are the key properties of (E)-2-(4-cyclobutylphenyl)-3-(4-hydroxyphenyl)but-2-enedinitrile?
(E)-2-(4-cyclobutylphenyl)-3-(4-hydroxyphenyl)but-2-enedinitrile has a molecular weight of 300.36 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-cyclobutylphenyl)-3-(4-hydroxyphenyl)but-2-enedinitrile is sourced from PubChem (CID 163585462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).