[(Z)-4-bromobut-2-en-2-yl]benzene

C10H11Br — CID 68809722

IUPAC[(Z)-4-bromobut-2-en-2-yl]benzene
SMILESC/C(=C/CBr)c1ccccc1
InChIInChI=1S/C10H11Br/c1-9(7-8-11)10-5-3-2-4-6-10/h2-7H,8H2,1H3/b9-7-
InChIKeyQHFKDLJGDAVWDN-CLFYSBASSA-N
MW211.10 g/mol
LogP3.48
Rot. Bonds2

About [(Z)-4-bromobut-2-en-2-yl]benzene

[(Z)-4-bromobut-2-en-2-yl]benzene (PubChem CID 68809722) has the molecular formula C10H11Br and a molecular weight of 211.10 g/mol. Its IUPAC name is [(Z)-4-bromobut-2-en-2-yl]benzene.

Molecular Properties

Compound Name[(Z)-4-bromobut-2-en-2-yl]benzene
PubChem CID68809722
Molecular FormulaC10H11Br
Molecular Weight211.10 g/mol
Exact Mass210.00
IUPAC Name[(Z)-4-bromobut-2-en-2-yl]benzene
SMILESC/C(=C/CBr)c1ccccc1
InChIInChI=1S/C10H11Br/c1-9(7-8-11)10-5-3-2-4-6-10/h2-7H,8H2,1H3/b9-7-
InChIKeyQHFKDLJGDAVWDN-CLFYSBASSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
2,8-diphenylnona-2,7-dien-5-one
CID 139864359
1-bromoprop-1-en-2-ylbenzene
CID 5152757
(3-bromo-1-iodoprop-1-enyl)benzene
CID 54133042
iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc
CID 135060356
ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene
CID 142163032
[(E)-5-phenylhex-4-enyl]benzene
CID 14767514
1-[(E)-4-bromobut-2-en-2-yl]-2-methoxybenzene
CID 121221128
1-iodoprop-1-en-2-ylbenzene
CID 54065087
[(E)-1-chloroprop-1-en-2-yl]benzene
CID 12504275
ethane;4-phenylpent-3-en-2-one
CID 123324566
[(E)-4-phenylpent-3-enyl] hydrogen carbonate
CID 70193695

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-bromobut-2-en-2-yl]benzene?
The IUPAC name of [(Z)-4-bromobut-2-en-2-yl]benzene (CID 68809722) is [(Z)-4-bromobut-2-en-2-yl]benzene.
What is the SMILES notation for [(Z)-4-bromobut-2-en-2-yl]benzene?
The canonical SMILES for [(Z)-4-bromobut-2-en-2-yl]benzene is C/C(=C/CBr)c1ccccc1.
What is the InChIKey of [(Z)-4-bromobut-2-en-2-yl]benzene?
The InChIKey is QHFKDLJGDAVWDN-CLFYSBASSA-N. The full InChI is InChI=1S/C10H11Br/c1-9(7-8-11)10-5-3-2-4-6-10/h2-7H,8H2,1H3/b9-7-.
What are the key properties of [(Z)-4-bromobut-2-en-2-yl]benzene?
[(Z)-4-bromobut-2-en-2-yl]benzene has a molecular weight of 211.10 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-bromobut-2-en-2-yl]benzene is sourced from PubChem (CID 68809722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).