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

C14H10Br2 — CID 10315048

IUPAC1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene
SMILESBrc1cccc(/C=C/c2ccccc2Br)c1
InChIInChI=1S/C14H10Br2/c15-13-6-3-4-11(10-13)8-9-12-5-1-2-7-14(12)16/h1-10H/b9-8+
InChIKeyJLQYSGUXZCLDAR-CMDGGOBGSA-N
MW338.04 g/mol
LogP5.38
Rot. Bonds2

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

1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene (PubChem CID 10315048) has the molecular formula C14H10Br2 and a molecular weight of 338.04 g/mol. Its IUPAC name is 1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene
PubChem CID10315048
Molecular FormulaC14H10Br2
Molecular Weight338.04 g/mol
Exact Mass335.91
IUPAC Name1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene
SMILESBrc1cccc(/C=C/c2ccccc2Br)c1
InChIInChI=1S/C14H10Br2/c15-13-6-3-4-11(10-13)8-9-12-5-1-2-7-14(12)16/h1-10H/b9-8+
InChIKeyJLQYSGUXZCLDAR-CMDGGOBGSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.04
LogP ≤ 55.38
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

1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671
4-[(E)-2-(2-bromophenyl)ethenyl]aniline
CID 89320791
4-[2-(3-bromophenyl)ethenyl]phenol
CID 68626612
4-[(Z)-2-(3-bromophenyl)ethenyl]pyridine
CID 10038211
1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene
CID 10714265
1,4-dibromo-2,5-bis[2-(3-methylphenyl)ethenyl]benzene
CID 59951418
4-[(Z)-2-(2-bromophenyl)ethenyl]pyridine;hydrochloride
CID 54611204
3-[(E)-2-(3-bromophenyl)ethenyl]pyridine
CID 69086206
(Z)-3-(3-bromophenyl)prop-2-enamide
CID 11775854
diazanium bis((E)-3-(3-bromophenyl)prop-2-enoate)
CID 139145618

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene?
The IUPAC name of 1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene (CID 10315048) is 1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene.
What is the SMILES notation for 1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene?
The canonical SMILES for 1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene is Brc1cccc(/C=C/c2ccccc2Br)c1.
What is the InChIKey of 1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene?
The InChIKey is JLQYSGUXZCLDAR-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H10Br2/c15-13-6-3-4-11(10-13)8-9-12-5-1-2-7-14(12)16/h1-10H/b9-8+.
What are the key properties of 1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene?
1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene has a molecular weight of 338.04 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene is sourced from PubChem (CID 10315048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).