[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene

C16H14 — CID 641683

IUPAC[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
SMILESC(/C=C/c1ccccc1)=C\c1ccccc1
InChIInChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+
InChIKeyJFLKFZNIIQFQBS-FNCQTZNRSA-N
MW206.29 g/mol
LogP4.41
Rot. Bonds3

About [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene

[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene (PubChem CID 641683) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
PubChem CID641683
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
SMILESC(/C=C/c1ccccc1)=C\c1ccccc1
InChIInChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+
InChIKeyJFLKFZNIIQFQBS-FNCQTZNRSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
The IUPAC name of [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene (CID 641683) is [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene.
What is the SMILES notation for [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
The canonical SMILES for [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene is C(/C=C/c1ccccc1)=C\c1ccccc1.
What is the InChIKey of [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
The InChIKey is JFLKFZNIIQFQBS-FNCQTZNRSA-N. The full InChI is InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+.
What are the key properties of [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene has a molecular weight of 206.29 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 641683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).