4-phenylbuta-1,3-dienylbenzene

C16H14 — CID 13452

IUPAC4-phenylbuta-1,3-dienylbenzene
SMILESC(C=Cc1ccccc1)=Cc1ccccc1
InChIInChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H
InChIKeyJFLKFZNIIQFQBS-UHFFFAOYSA-N
MW206.29 g/mol
LogP4.41
Rot. Bonds3

About 4-phenylbuta-1,3-dienylbenzene

4-phenylbuta-1,3-dienylbenzene (PubChem CID 13452) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-phenylbuta-1,3-dienylbenzene.

Molecular Properties

Compound Name4-phenylbuta-1,3-dienylbenzene
PubChem CID13452
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name4-phenylbuta-1,3-dienylbenzene
SMILESC(C=Cc1ccccc1)=Cc1ccccc1
InChIInChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H
InChIKeyJFLKFZNIIQFQBS-UHFFFAOYSA-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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Related Compounds

Naphthalene
CID 931
Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
Tetralin
CID 8404
Cumene
CID 7406
Butylbenzene
CID 7705

Frequently Asked Questions

What is the IUPAC name of 4-phenylbuta-1,3-dienylbenzene?
The IUPAC name of 4-phenylbuta-1,3-dienylbenzene (CID 13452) is 4-phenylbuta-1,3-dienylbenzene.
What is the SMILES notation for 4-phenylbuta-1,3-dienylbenzene?
The canonical SMILES for 4-phenylbuta-1,3-dienylbenzene is C(C=Cc1ccccc1)=Cc1ccccc1.
What is the InChIKey of 4-phenylbuta-1,3-dienylbenzene?
The InChIKey is JFLKFZNIIQFQBS-UHFFFAOYSA-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.
What are the key properties of 4-phenylbuta-1,3-dienylbenzene?
4-phenylbuta-1,3-dienylbenzene 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 4-phenylbuta-1,3-dienylbenzene is sourced from PubChem (CID 13452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).