1-(1-bromoethenyl)-2-ethenyl-3-phenylbenzene

C16H13Br — CID 142405469

IUPAC1-(1-bromoethenyl)-2-ethenyl-3-phenylbenzene
SMILESC=Cc1c(C(=C)Br)cccc1-c1ccccc1
InChIInChI=1S/C16H13Br/c1-3-14-15(12(2)17)10-7-11-16(14)13-8-5-4-6-9-13/h3-11H,1-2H2
InChIKeyBDWQLJPFOSSFCK-UHFFFAOYSA-N
MW285.18 g/mol
LogP5.36
Rot. Bonds3

About 1-(1-bromoethenyl)-2-ethenyl-3-phenylbenzene

1-(1-bromoethenyl)-2-ethenyl-3-phenylbenzene (PubChem CID 142405469) has the molecular formula C16H13Br and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-(1-bromoethenyl)-2-ethenyl-3-phenylbenzene.

Molecular Properties

Compound Name1-(1-bromoethenyl)-2-ethenyl-3-phenylbenzene
PubChem CID142405469
Molecular FormulaC16H13Br
Molecular Weight285.18 g/mol
Exact Mass284.02
IUPAC Name1-(1-bromoethenyl)-2-ethenyl-3-phenylbenzene
SMILESC=Cc1c(C(=C)Br)cccc1-c1ccccc1
InChIInChI=1S/C16H13Br/c1-3-14-15(12(2)17)10-7-11-16(14)13-8-5-4-6-9-13/h3-11H,1-2H2
InChIKeyBDWQLJPFOSSFCK-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.18
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromoethenyl)-2-ethenyl-3-phenylbenzene?
The IUPAC name of 1-(1-bromoethenyl)-2-ethenyl-3-phenylbenzene (CID 142405469) is 1-(1-bromoethenyl)-2-ethenyl-3-phenylbenzene.
What is the SMILES notation for 1-(1-bromoethenyl)-2-ethenyl-3-phenylbenzene?
The canonical SMILES for 1-(1-bromoethenyl)-2-ethenyl-3-phenylbenzene is C=Cc1c(C(=C)Br)cccc1-c1ccccc1.
What is the InChIKey of 1-(1-bromoethenyl)-2-ethenyl-3-phenylbenzene?
The InChIKey is BDWQLJPFOSSFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br/c1-3-14-15(12(2)17)10-7-11-16(14)13-8-5-4-6-9-13/h3-11H,1-2H2.
What are the key properties of 1-(1-bromoethenyl)-2-ethenyl-3-phenylbenzene?
1-(1-bromoethenyl)-2-ethenyl-3-phenylbenzene has a molecular weight of 285.18 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethenyl)-2-ethenyl-3-phenylbenzene is sourced from PubChem (CID 142405469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).