1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene

C16H13Br — CID 174966536

IUPAC1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene
SMILESBrc1ccc(CC=C=Cc2ccccc2)cc1
InChIInChI=1S/C16H13Br/c17-16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-3,5-8,10-13H,9H2
InChIKeyRJYGRHGEFUHFAR-UHFFFAOYSA-N
MW285.18 g/mol
LogP4.86
Rot. Bonds3

About 1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene

1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene (PubChem CID 174966536) has the molecular formula C16H13Br and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene
PubChem CID174966536
Molecular FormulaC16H13Br
Molecular Weight285.18 g/mol
Exact Mass284.02
IUPAC Name1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene
SMILESBrc1ccc(CC=C=Cc2ccccc2)cc1
InChIInChI=1S/C16H13Br/c17-16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-3,5-8,10-13H,9H2
InChIKeyRJYGRHGEFUHFAR-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene?
The IUPAC name of 1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene (CID 174966536) is 1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene.
What is the SMILES notation for 1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene?
The canonical SMILES for 1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene is Brc1ccc(CC=C=Cc2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene?
The InChIKey is RJYGRHGEFUHFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br/c17-16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-3,5-8,10-13H,9H2.
What are the key properties of 1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene?
1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene has a molecular weight of 285.18 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-phenylbuta-2,3-dienyl)benzene is sourced from PubChem (CID 174966536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).