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

C10H9Br — CID 11708291

IUPAC[(1E,3Z)-4-bromobuta-1,3-dienyl]benzene
SMILESBr/C=C\C=C\c1ccccc1
InChIInChI=1S/C10H9Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-9H/b8-4+,9-5-
InChIKeyRHFAWXPHDBNIKS-HXGSSHHBSA-N
MW209.09 g/mol
LogP3.61
Rot. Bonds2

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

[(1E,3Z)-4-bromobuta-1,3-dienyl]benzene (PubChem CID 11708291) has the molecular formula C10H9Br and a molecular weight of 209.09 g/mol. Its IUPAC name is [(1E,3Z)-4-bromobuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1E,3Z)-4-bromobuta-1,3-dienyl]benzene
PubChem CID11708291
Molecular FormulaC10H9Br
Molecular Weight209.09 g/mol
Exact Mass207.99
IUPAC Name[(1E,3Z)-4-bromobuta-1,3-dienyl]benzene
SMILESBr/C=C\C=C\c1ccccc1
InChIInChI=1S/C10H9Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-9H/b8-4+,9-5-
InChIKeyRHFAWXPHDBNIKS-HXGSSHHBSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.09
LogP ≤ 53.61
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

4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
(1Z,3Z)-4-phenylbuta-1,3-diene-1-thiol
CID 11982546
[(1E,3Z)-hexa-1,3,5-trienyl]benzene
CID 12714123
4-(4-phenylbuta-1,3-dienyl)benzaldehyde
CID 71360938
1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084
CID 23124540
CID 23124540
CID 11087023
CID 11087023
CID 70567885
CID 70567885
CID 70569152
CID 70569152

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z)-4-bromobuta-1,3-dienyl]benzene?
The IUPAC name of [(1E,3Z)-4-bromobuta-1,3-dienyl]benzene (CID 11708291) is [(1E,3Z)-4-bromobuta-1,3-dienyl]benzene.
What is the SMILES notation for [(1E,3Z)-4-bromobuta-1,3-dienyl]benzene?
The canonical SMILES for [(1E,3Z)-4-bromobuta-1,3-dienyl]benzene is Br/C=C\C=C\c1ccccc1.
What is the InChIKey of [(1E,3Z)-4-bromobuta-1,3-dienyl]benzene?
The InChIKey is RHFAWXPHDBNIKS-HXGSSHHBSA-N. The full InChI is InChI=1S/C10H9Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-9H/b8-4+,9-5-.
What are the key properties of [(1E,3Z)-4-bromobuta-1,3-dienyl]benzene?
[(1E,3Z)-4-bromobuta-1,3-dienyl]benzene has a molecular weight of 209.09 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z)-4-bromobuta-1,3-dienyl]benzene is sourced from PubChem (CID 11708291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).