1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene

C11H11Br — CID 144724093

IUPAC1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene
SMILESC=C(/C=C\C)c1ccc(Br)cc1
InChIInChI=1S/C11H11Br/c1-3-4-9(2)10-5-7-11(12)8-6-10/h3-8H,2H2,1H3/b4-3-
InChIKeyRGCMJFLIODYALC-ARJAWSKDSA-N
MW223.11 g/mol
LogP4.04
Rot. Bonds2

About 1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene

1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene (PubChem CID 144724093) has the molecular formula C11H11Br and a molecular weight of 223.11 g/mol. Its IUPAC name is 1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene
PubChem CID144724093
Molecular FormulaC11H11Br
Molecular Weight223.11 g/mol
Exact Mass222.00
IUPAC Name1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene
SMILESC=C(/C=C\C)c1ccc(Br)cc1
InChIInChI=1S/C11H11Br/c1-3-4-9(2)10-5-7-11(12)8-6-10/h3-8H,2H2,1H3/b4-3-
InChIKeyRGCMJFLIODYALC-ARJAWSKDSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 54.04
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

ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene;2-methyl-3-methylidene-1-benzofuran
CID 144724092
4-[(3Z)-penta-1,3-dien-2-yl]pyridine
CID 118479579
1-bromo-4-[(3E)-4-(2-ethylphenyl)buta-1,3-dien-2-yl]benzene
CID 121277421
1-bromo-4-but-2-en-2-ylbenzene
CID 72775371
1-bromo-4-(1-methoxyprop-1-enyl)benzene
CID 131859636
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylbenzene
CID 143259636
1-bromo-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 144639814
1-ethenyl-4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene
CID 143222208
2-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]-9,9'-spirobi[fluorene]
CID 144925252
4-penta-1,3-dien-2-yl-1H-pyrazole
CID 123880158
1-bromo-4-[(Z)-1-phenylprop-1-enyl]benzene
CID 71096941

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene?
The IUPAC name of 1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene (CID 144724093) is 1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene.
What is the SMILES notation for 1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene?
The canonical SMILES for 1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene is C=C(/C=C\C)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene?
The InChIKey is RGCMJFLIODYALC-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H11Br/c1-3-4-9(2)10-5-7-11(12)8-6-10/h3-8H,2H2,1H3/b4-3-.
What are the key properties of 1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene?
1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene has a molecular weight of 223.11 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(3Z)-penta-1,3-dien-2-yl]benzene is sourced from PubChem (CID 144724093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).