4-[2-(2-bromophenyl)ethenyl]-1,2-dimethylbenzene

C16H15Br — CID 135010579

IUPAC4-[2-(2-bromophenyl)ethenyl]-1,2-dimethylbenzene
SMILESCc1ccc(C=Cc2ccccc2Br)cc1C
InChIInChI=1S/C16H15Br/c1-12-7-8-14(11-13(12)2)9-10-15-5-3-4-6-16(15)17/h3-11H,1-2H3
InChIKeyKLZMXYBMVIZWJQ-UHFFFAOYSA-N
MW287.20 g/mol
LogP5.24
Rot. Bonds2

About 4-[2-(2-bromophenyl)ethenyl]-1,2-dimethylbenzene

4-[2-(2-bromophenyl)ethenyl]-1,2-dimethylbenzene (PubChem CID 135010579) has the molecular formula C16H15Br and a molecular weight of 287.20 g/mol. Its IUPAC name is 4-[2-(2-bromophenyl)ethenyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[2-(2-bromophenyl)ethenyl]-1,2-dimethylbenzene
PubChem CID135010579
Molecular FormulaC16H15Br
Molecular Weight287.20 g/mol
Exact Mass286.04
IUPAC Name4-[2-(2-bromophenyl)ethenyl]-1,2-dimethylbenzene
SMILESCc1ccc(C=Cc2ccccc2Br)cc1C
InChIInChI=1S/C16H15Br/c1-12-7-8-14(11-13(12)2)9-10-15-5-3-4-6-16(15)17/h3-11H,1-2H3
InChIKeyKLZMXYBMVIZWJQ-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.20
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2'-Dibromobiphenyl
CID 83060
2-Bromobiphenyl
CID 16329
2,6-Dibromobiphenyl
CID 181210
9-Bromophenanthrene
CID 11309
9-Bromoanthracene
CID 74062
2,4'-Dibromobiphenyl
CID 154303
7-Bromobenz(a)anthracene
CID 72849
4'-Bromo-3-methylbiphenyl
CID 42058
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
2-Bromo-m-xylene
CID 68471
2,3'-Dibromobiphenyl
CID 154302
1-Bromo-2-methylnaphthalene
CID 75754

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromophenyl)ethenyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[2-(2-bromophenyl)ethenyl]-1,2-dimethylbenzene (CID 135010579) is 4-[2-(2-bromophenyl)ethenyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[2-(2-bromophenyl)ethenyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[2-(2-bromophenyl)ethenyl]-1,2-dimethylbenzene is Cc1ccc(C=Cc2ccccc2Br)cc1C.
What is the InChIKey of 4-[2-(2-bromophenyl)ethenyl]-1,2-dimethylbenzene?
The InChIKey is KLZMXYBMVIZWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br/c1-12-7-8-14(11-13(12)2)9-10-15-5-3-4-6-16(15)17/h3-11H,1-2H3.
What are the key properties of 4-[2-(2-bromophenyl)ethenyl]-1,2-dimethylbenzene?
4-[2-(2-bromophenyl)ethenyl]-1,2-dimethylbenzene has a molecular weight of 287.20 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromophenyl)ethenyl]-1,2-dimethylbenzene is sourced from PubChem (CID 135010579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).