[(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene

C17H17Br — CID 19703232

IUPAC[(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene
SMILESBrCC/C=C(/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17Br/c18-13-7-12-17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-6,8-12H,7,13-14H2/b17-12-
InChIKeyPIUVQKYPIRXMNA-ATVHPVEESA-N
MW301.23 g/mol
LogP5.10
Rot. Bonds5

About [(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene

[(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene (PubChem CID 19703232) has the molecular formula C17H17Br and a molecular weight of 301.23 g/mol. Its IUPAC name is [(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene.

Molecular Properties

Compound Name[(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene
PubChem CID19703232
Molecular FormulaC17H17Br
Molecular Weight301.23 g/mol
Exact Mass300.05
IUPAC Name[(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene
SMILESBrCC/C=C(/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17Br/c18-13-7-12-17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-6,8-12H,7,13-14H2/b17-12-
InChIKeyPIUVQKYPIRXMNA-ATVHPVEESA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.23
LogP ≤ 55.10
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)-5-fluoro-1-phenylpent-2-en-2-yl]benzene
CID 134934904
(4-bromo-1-phenylbut-1-enyl)benzene
CID 10401774
[(E)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
1-(5-bromopentoxy)-4-[(E)-3,4-diphenylbut-2-enyl]benzene
CID 67642835
[(E)-6-bromohex-3-en-1-yn-3-yl]benzene
CID 139252123
1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene
CID 57258475
1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene
CID 101240761
(E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one
CID 155301097
tert-butyl-[(Z)-2,3-diphenylprop-1-enyl]-dimethylsilane
CID 101151962
[(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene
CID 98512768
ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene
CID 70616201
(Z)-2-(3-bromophenyl)-5-phenylpent-2-en-1-ol
CID 19920654

Frequently Asked Questions

What is the IUPAC name of [(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene?
The IUPAC name of [(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene (CID 19703232) is [(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene.
What is the SMILES notation for [(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene?
The canonical SMILES for [(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene is BrCC/C=C(/Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene?
The InChIKey is PIUVQKYPIRXMNA-ATVHPVEESA-N. The full InChI is InChI=1S/C17H17Br/c18-13-7-12-17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-6,8-12H,7,13-14H2/b17-12-.
What are the key properties of [(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene?
[(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene has a molecular weight of 301.23 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-bromo-1-phenylpent-2-en-2-yl]benzene is sourced from PubChem (CID 19703232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).