[(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene

C16H14Br2 — CID 98512768

IUPAC[(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene
SMILESBr/C(Cc1ccccc1)=C(\Br)Cc1ccccc1
InChIInChI=1S/C16H14Br2/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10H,11-12H2/b16-15-
InChIKeyLGDCZULANHVHFY-NXVVXOECSA-N
MW366.10 g/mol
LogP5.47
Rot. Bonds4

About [(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene

[(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene (PubChem CID 98512768) has the molecular formula C16H14Br2 and a molecular weight of 366.10 g/mol. Its IUPAC name is [(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene.

Molecular Properties

Compound Name[(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene
PubChem CID98512768
Molecular FormulaC16H14Br2
Molecular Weight366.10 g/mol
Exact Mass363.95
IUPAC Name[(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene
SMILESBr/C(Cc1ccccc1)=C(\Br)Cc1ccccc1
InChIInChI=1S/C16H14Br2/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10H,11-12H2/b16-15-
InChIKeyLGDCZULANHVHFY-NXVVXOECSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.10
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-diphenyl(213C)propan-2-one
CID 100945080
[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene
CID 10588550
1,4-diphenylbut-2-ene-2,3-diamine
CID 67744417
1,3-diphenylpropan-2-ylidenezirconium(2+)
CID 22171883
2-phenylacetic acid;silver
CID 50912513
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
N-methoxy-2-phenylethanimidoyl bromide
CID 165358038
benzene;1-phenylpropan-2-one
CID 21430852
(E)-1-phenylbut-2-en-2-ol
CID 170790149
calcium;hydride;2-phenylacetic acid
CID 173132712

Frequently Asked Questions

What is the IUPAC name of [(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene?
The IUPAC name of [(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene (CID 98512768) is [(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene.
What is the SMILES notation for [(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene?
The canonical SMILES for [(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene is Br/C(Cc1ccccc1)=C(\Br)Cc1ccccc1.
What is the InChIKey of [(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene?
The InChIKey is LGDCZULANHVHFY-NXVVXOECSA-N. The full InChI is InChI=1S/C16H14Br2/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10H,11-12H2/b16-15-.
What are the key properties of [(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene?
[(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene has a molecular weight of 366.10 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene is sourced from PubChem (CID 98512768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).