1,1'-biphenyl;1-bromo-2-ethenylbenzene

C20H17Br — CID 162205107

IUPAC1,1'-biphenyl;1-bromo-2-ethenylbenzene
SMILESC=Cc1ccccc1Br.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H7Br/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-7-5-3-4-6-8(7)9/h1-10H;2-6H,1H2
InChIKeyZSBWOMZYIDSQFS-UHFFFAOYSA-N
MW337.26 g/mol
LogP6.45
Rot. Bonds2

About 1,1'-biphenyl;1-bromo-2-ethenylbenzene

1,1'-biphenyl;1-bromo-2-ethenylbenzene (PubChem CID 162205107) has the molecular formula C20H17Br and a molecular weight of 337.26 g/mol. Its IUPAC name is 1,1'-biphenyl;1-bromo-2-ethenylbenzene.

Molecular Properties

Compound Name1,1'-biphenyl;1-bromo-2-ethenylbenzene
PubChem CID162205107
Molecular FormulaC20H17Br
Molecular Weight337.26 g/mol
Exact Mass336.05
IUPAC Name1,1'-biphenyl;1-bromo-2-ethenylbenzene
SMILESC=Cc1ccccc1Br.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H7Br/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-7-5-3-4-6-8(7)9/h1-10H;2-6H,1H2
InChIKeyZSBWOMZYIDSQFS-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.26
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,1'-biphenyl;1-ethenyl-2-methoxybenzene
CID 158702776
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CID 174584589
1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene
CID 143613386
1-ethenyl-2-[2-(2-ethenylphenyl)ethenyl]benzene
CID 162779028
1,1'-biphenyl;ethane;prop-1-ene
CID 156726173
benzene;tris(1,1'-biphenyl)
CID 162155747
2-ethenyl-6-phenylaniline
CID 162513361
2-bromobenzaldehyde;bromobenzene
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2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146639140

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1-bromo-2-ethenylbenzene?
The IUPAC name of 1,1'-biphenyl;1-bromo-2-ethenylbenzene (CID 162205107) is 1,1'-biphenyl;1-bromo-2-ethenylbenzene.
What is the SMILES notation for 1,1'-biphenyl;1-bromo-2-ethenylbenzene?
The canonical SMILES for 1,1'-biphenyl;1-bromo-2-ethenylbenzene is C=Cc1ccccc1Br.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1-bromo-2-ethenylbenzene?
The InChIKey is ZSBWOMZYIDSQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C8H7Br/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-7-5-3-4-6-8(7)9/h1-10H;2-6H,1H2.
What are the key properties of 1,1'-biphenyl;1-bromo-2-ethenylbenzene?
1,1'-biphenyl;1-bromo-2-ethenylbenzene has a molecular weight of 337.26 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1-bromo-2-ethenylbenzene is sourced from PubChem (CID 162205107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).