2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile

C18H15NO — CID 3317052

IUPAC2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile
SMILESCOc1ccc(C(C#N)=CC=Cc2ccccc2)cc1
InChIInChI=1S/C18H15NO/c1-20-18-12-10-16(11-13-18)17(14-19)9-5-8-15-6-3-2-4-7-15/h2-13H,1H3
InChIKeyGQJQOXKMNJCVNQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.32
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile

2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile (PubChem CID 3317052) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile
PubChem CID3317052
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile
SMILESCOc1ccc(C(C#N)=CC=Cc2ccccc2)cc1
InChIInChI=1S/C18H15NO/c1-20-18-12-10-16(11-13-18)17(14-19)9-5-8-15-6-3-2-4-7-15/h2-13H,1H3
InChIKeyGQJQOXKMNJCVNQ-UHFFFAOYSA-N
XLogP4.32
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.32
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

(2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile
CID 6341462
2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile
CID 1248488
(2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile
CID 20836458
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
2-(4-methoxyphenyl)but-2-enedinitrile
CID 54310324
(E)-2-(4-methoxyphenyl)but-2-enedinitrile
CID 101444835
(Z)-3-(4-methoxyphenyl)sulfanyl-2-phenylprop-2-enenitrile
CID 101045592
2-cyano-5-(4-methoxyphenyl)penta-2,4-dienethioamide
CID 74258795
[(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene
CID 100974511
(E)-3-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)prop-2-enenitrile
CID 22302618
(E)-4,4-difluoro-5-(4-methoxyphenyl)-5-oxo-2-phenylpent-2-enenitrile
CID 155774784
1-methoxy-4-[(1E)-4-methylpenta-1,3-dienyl]benzene
CID 10965272

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile?
The IUPAC name of 2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile (CID 3317052) is 2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile is COc1ccc(C(C#N)=CC=Cc2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile?
The InChIKey is GQJQOXKMNJCVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-20-18-12-10-16(11-13-18)17(14-19)9-5-8-15-6-3-2-4-7-15/h2-13H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile?
2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile has a molecular weight of 261.32 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile is sourced from PubChem (CID 3317052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).