1-buta-1,3-dienyl-2-phenylbenzene

C16H14 — CID 54164854

IUPAC1-buta-1,3-dienyl-2-phenylbenzene
SMILESC=CC=Cc1ccccc1-c1ccccc1
InChIInChI=1S/C16H14/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15/h2-13H,1H2
InChIKeyOQXQUGCRXVDTAW-UHFFFAOYSA-N
MW206.29 g/mol
LogP4.55
Rot. Bonds3

About 1-buta-1,3-dienyl-2-phenylbenzene

1-buta-1,3-dienyl-2-phenylbenzene (PubChem CID 54164854) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-buta-1,3-dienyl-2-phenylbenzene.

Molecular Properties

Compound Name1-buta-1,3-dienyl-2-phenylbenzene
PubChem CID54164854
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name1-buta-1,3-dienyl-2-phenylbenzene
SMILESC=CC=Cc1ccccc1-c1ccccc1
InChIInChI=1S/C16H14/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15/h2-13H,1H2
InChIKeyOQXQUGCRXVDTAW-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
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 1-buta-1,3-dienyl-2-phenylbenzene?
The IUPAC name of 1-buta-1,3-dienyl-2-phenylbenzene (CID 54164854) is 1-buta-1,3-dienyl-2-phenylbenzene.
What is the SMILES notation for 1-buta-1,3-dienyl-2-phenylbenzene?
The canonical SMILES for 1-buta-1,3-dienyl-2-phenylbenzene is C=CC=Cc1ccccc1-c1ccccc1.
What is the InChIKey of 1-buta-1,3-dienyl-2-phenylbenzene?
The InChIKey is OQXQUGCRXVDTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15/h2-13H,1H2.
What are the key properties of 1-buta-1,3-dienyl-2-phenylbenzene?
1-buta-1,3-dienyl-2-phenylbenzene has a molecular weight of 206.29 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dienyl-2-phenylbenzene is sourced from PubChem (CID 54164854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).