1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene

C14H10BrCl — CID 139240528

IUPAC1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene
SMILESClc1cccc(/C=C/c2ccc(Br)cc2)c1
InChIInChI=1S/C14H10BrCl/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-10H/b5-4+
InChIKeyBMTIPEASDUDLLW-SNAWJCMRSA-N
MW293.59 g/mol
LogP5.27
Rot. Bonds2

About 1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene

1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene (PubChem CID 139240528) has the molecular formula C14H10BrCl and a molecular weight of 293.59 g/mol. Its IUPAC name is 1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene
PubChem CID139240528
Molecular FormulaC14H10BrCl
Molecular Weight293.59 g/mol
Exact Mass291.97
IUPAC Name1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene
SMILESClc1cccc(/C=C/c2ccc(Br)cc2)c1
InChIInChI=1S/C14H10BrCl/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-10H/b5-4+
InChIKeyBMTIPEASDUDLLW-SNAWJCMRSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.59
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene?
The IUPAC name of 1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene (CID 139240528) is 1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene.
What is the SMILES notation for 1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene?
The canonical SMILES for 1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene is Clc1cccc(/C=C/c2ccc(Br)cc2)c1.
What is the InChIKey of 1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene?
The InChIKey is BMTIPEASDUDLLW-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H10BrCl/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-10H/b5-4+.
What are the key properties of 1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene?
1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene has a molecular weight of 293.59 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-2-(3-chlorophenyl)ethenyl]benzene is sourced from PubChem (CID 139240528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).