[(1E,3E)-2-methyl-4-phenylbuta-1,3-dienyl]benzene

C17H16 — CID 6369726

IUPAC[(1E,3E)-2-methyl-4-phenylbuta-1,3-dienyl]benzene
SMILESCC(/C=C/c1ccccc1)=C\c1ccccc1
InChIInChI=1S/C17H16/c1-15(14-17-10-6-3-7-11-17)12-13-16-8-4-2-5-9-16/h2-14H,1H3/b13-12+,15-14+
InChIKeyMCXUZXVIQZNGSA-SQIWNDBBSA-N
MW220.32 g/mol
LogP4.80
Rot. Bonds3

About [(1E,3E)-2-methyl-4-phenylbuta-1,3-dienyl]benzene

[(1E,3E)-2-methyl-4-phenylbuta-1,3-dienyl]benzene (PubChem CID 6369726) has the molecular formula C17H16 and a molecular weight of 220.32 g/mol. Its IUPAC name is [(1E,3E)-2-methyl-4-phenylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1E,3E)-2-methyl-4-phenylbuta-1,3-dienyl]benzene
PubChem CID6369726
Molecular FormulaC17H16
Molecular Weight220.32 g/mol
Exact Mass220.13
IUPAC Name[(1E,3E)-2-methyl-4-phenylbuta-1,3-dienyl]benzene
SMILESCC(/C=C/c1ccccc1)=C\c1ccccc1
InChIInChI=1S/C17H16/c1-15(14-17-10-6-3-7-11-17)12-13-16-8-4-2-5-9-16/h2-14H,1H3/b13-12+,15-14+
InChIKeyMCXUZXVIQZNGSA-SQIWNDBBSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 54.80
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)-2-methyl-4-phenylbuta-1,3-dienyl]benzene?
The IUPAC name of [(1E,3E)-2-methyl-4-phenylbuta-1,3-dienyl]benzene (CID 6369726) is [(1E,3E)-2-methyl-4-phenylbuta-1,3-dienyl]benzene.
What is the SMILES notation for [(1E,3E)-2-methyl-4-phenylbuta-1,3-dienyl]benzene?
The canonical SMILES for [(1E,3E)-2-methyl-4-phenylbuta-1,3-dienyl]benzene is CC(/C=C/c1ccccc1)=C\c1ccccc1.
What is the InChIKey of [(1E,3E)-2-methyl-4-phenylbuta-1,3-dienyl]benzene?
The InChIKey is MCXUZXVIQZNGSA-SQIWNDBBSA-N. The full InChI is InChI=1S/C17H16/c1-15(14-17-10-6-3-7-11-17)12-13-16-8-4-2-5-9-16/h2-14H,1H3/b13-12+,15-14+.
What are the key properties of [(1E,3E)-2-methyl-4-phenylbuta-1,3-dienyl]benzene?
[(1E,3E)-2-methyl-4-phenylbuta-1,3-dienyl]benzene has a molecular weight of 220.32 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-2-methyl-4-phenylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 6369726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).