(2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile

C19H17NO — CID 6341462

IUPAC(2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile
SMILESCOc1ccc(/C=C/C=C(/C#N)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H17NO/c1-15-6-10-17(11-7-15)18(14-20)5-3-4-16-8-12-19(21-2)13-9-16/h3-13H,1-2H3/b4-3+,18-5-
InChIKeyBIQAUNGJIPUFGD-ONCSWLTESA-N
MW275.35 g/mol
LogP4.62
Rot. Bonds4

About (2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile

(2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile (PubChem CID 6341462) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is (2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile
PubChem CID6341462
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name(2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile
SMILESCOc1ccc(/C=C/C=C(/C#N)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H17NO/c1-15-6-10-17(11-7-15)18(14-20)5-3-4-16-8-12-19(21-2)13-9-16/h3-13H,1-2H3/b4-3+,18-5-
InChIKeyBIQAUNGJIPUFGD-ONCSWLTESA-N
XLogP4.62
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile
CID 1248488
2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile
CID 3317052
4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N,N-bis(4-methoxyphenyl)aniline
CID 87385829
(E)-2-(4-methoxyphenyl)but-2-enedinitrile
CID 101444835
2-(4-methoxyphenyl)but-2-enedinitrile
CID 54310324
4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[2,2-bis(4-methylphenyl)ethenyl]-N-(4-methoxyphenyl)aniline
CID 59086916
2-cyano-5-(4-methoxyphenyl)penta-2,4-dienethioamide
CID 74258795
1-methoxy-4-[(1E)-4-methylpenta-1,3-dienyl]benzene
CID 10965272
(E)-3-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 21374798
N-[2,2-bis(4-methylphenyl)ethenyl]-4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-(4-methoxyphenyl)aniline
CID 23517965
(2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile
CID 20836458
(E)-3-(4-hydroxy-3-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 21374752

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile?
The IUPAC name of (2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile (CID 6341462) is (2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile.
What is the SMILES notation for (2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile?
The canonical SMILES for (2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile is COc1ccc(/C=C/C=C(/C#N)c2ccc(C)cc2)cc1.
What is the InChIKey of (2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile?
The InChIKey is BIQAUNGJIPUFGD-ONCSWLTESA-N. The full InChI is InChI=1S/C19H17NO/c1-15-6-10-17(11-7-15)18(14-20)5-3-4-16-8-12-19(21-2)13-9-16/h3-13H,1-2H3/b4-3+,18-5-.
What are the key properties of (2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile?
(2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile has a molecular weight of 275.35 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile is sourced from PubChem (CID 6341462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).