[(3R)-3-bromohex-5-enyl]benzene

C12H15Br — CID 125475823

IUPAC[(3R)-3-bromohex-5-enyl]benzene
SMILESC=CC[C@H](Br)CCc1ccccc1
InChIInChI=1S/C12H15Br/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h2-5,7-8,12H,1,6,9-10H2/t12-/m0/s1
InChIKeyMEZNSZXYPJIOOZ-LBPRGKRZSA-N
MW239.16 g/mol
LogP3.96
Rot. Bonds5

About [(3R)-3-bromohex-5-enyl]benzene

[(3R)-3-bromohex-5-enyl]benzene (PubChem CID 125475823) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is [(3R)-3-bromohex-5-enyl]benzene.

Molecular Properties

Compound Name[(3R)-3-bromohex-5-enyl]benzene
PubChem CID125475823
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name[(3R)-3-bromohex-5-enyl]benzene
SMILESC=CC[C@H](Br)CCc1ccccc1
InChIInChI=1S/C12H15Br/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h2-5,7-8,12H,1,6,9-10H2/t12-/m0/s1
InChIKeyMEZNSZXYPJIOOZ-LBPRGKRZSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-3-bromo-3-fluoropropyl]benzene
CID 129394816
3-prop-2-enylnonadecylbenzene
CID 173349260
2-(3-phenylpropyl)pent-4-enenitrile
CID 132508943
[(3R)-3-pent-4-enoxyhex-5-enyl]benzene
CID 134882651
1-(3-bromohexyl)-4-phenylbenzene
CID 65456285
[(3R)-3-phenylpent-4-enyl]benzene
CID 134979381
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
but-3-enylbenzene;silver
CID 174999453
5-amino-1-phenyloct-7-en-4-one
CID 116606858
[3-bromo-4-(2-methylcyclohexen-1-yl)butyl]benzene
CID 102494128
[(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene
CID 101441106
phenoxy(1-phenylhex-5-en-3-yloxy)methanethione
CID 15757484

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-bromohex-5-enyl]benzene?
The IUPAC name of [(3R)-3-bromohex-5-enyl]benzene (CID 125475823) is [(3R)-3-bromohex-5-enyl]benzene.
What is the SMILES notation for [(3R)-3-bromohex-5-enyl]benzene?
The canonical SMILES for [(3R)-3-bromohex-5-enyl]benzene is C=CC[C@H](Br)CCc1ccccc1.
What is the InChIKey of [(3R)-3-bromohex-5-enyl]benzene?
The InChIKey is MEZNSZXYPJIOOZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15Br/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h2-5,7-8,12H,1,6,9-10H2/t12-/m0/s1.
What are the key properties of [(3R)-3-bromohex-5-enyl]benzene?
[(3R)-3-bromohex-5-enyl]benzene has a molecular weight of 239.16 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-bromohex-5-enyl]benzene is sourced from PubChem (CID 125475823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).