[(2Z)-3-bromopenta-2,4-dienyl]benzene

C11H11Br — CID 101147741

IUPAC[(2Z)-3-bromopenta-2,4-dienyl]benzene
SMILESC=C/C(Br)=C/Cc1ccccc1
InChIInChI=1S/C11H11Br/c1-2-11(12)9-8-10-6-4-3-5-7-10/h2-7,9H,1,8H2/b11-9-
InChIKeyPQQJBFZEXJLMNC-LUAWRHEFSA-N
MW223.11 g/mol
LogP3.69
Rot. Bonds3

About [(2Z)-3-bromopenta-2,4-dienyl]benzene

[(2Z)-3-bromopenta-2,4-dienyl]benzene (PubChem CID 101147741) has the molecular formula C11H11Br and a molecular weight of 223.11 g/mol. Its IUPAC name is [(2Z)-3-bromopenta-2,4-dienyl]benzene.

Molecular Properties

Compound Name[(2Z)-3-bromopenta-2,4-dienyl]benzene
PubChem CID101147741
Molecular FormulaC11H11Br
Molecular Weight223.11 g/mol
Exact Mass222.00
IUPAC Name[(2Z)-3-bromopenta-2,4-dienyl]benzene
SMILESC=C/C(Br)=C/Cc1ccccc1
InChIInChI=1S/C11H11Br/c1-2-11(12)9-8-10-6-4-3-5-7-10/h2-7,9H,1,8H2/b11-9-
InChIKeyPQQJBFZEXJLMNC-LUAWRHEFSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 53.69
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

prop-2-enylbenzene
CID 159998516
phosphane;prop-2-enylbenzene
CID 87328808
prop-2-enylbenzene;dihydrochloride
CID 174768742
CID 173215164
CID 173215164
prop-2-enylbenzene;silicic acid;sulfane
CID 174871791
[(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene
CID 101047843
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904
[(2E,4E)-3,5-dibromohepta-2,4,6-trienoxy]methylbenzene
CID 143253089
1-amino-3-phenylprop-1-en-1-ol
CID 67202427
benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene
CID 173443660
actinium;(Z)-4-phenylbut-2-en-2-ol
CID 22892787
prop-2-enylbenzene;sulfur trioxide
CID 175109242

Frequently Asked Questions

What is the IUPAC name of [(2Z)-3-bromopenta-2,4-dienyl]benzene?
The IUPAC name of [(2Z)-3-bromopenta-2,4-dienyl]benzene (CID 101147741) is [(2Z)-3-bromopenta-2,4-dienyl]benzene.
What is the SMILES notation for [(2Z)-3-bromopenta-2,4-dienyl]benzene?
The canonical SMILES for [(2Z)-3-bromopenta-2,4-dienyl]benzene is C=C/C(Br)=C/Cc1ccccc1.
What is the InChIKey of [(2Z)-3-bromopenta-2,4-dienyl]benzene?
The InChIKey is PQQJBFZEXJLMNC-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H11Br/c1-2-11(12)9-8-10-6-4-3-5-7-10/h2-7,9H,1,8H2/b11-9-.
What are the key properties of [(2Z)-3-bromopenta-2,4-dienyl]benzene?
[(2Z)-3-bromopenta-2,4-dienyl]benzene has a molecular weight of 223.11 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-3-bromopenta-2,4-dienyl]benzene is sourced from PubChem (CID 101147741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).