1-bromo-2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorobenzene

C14H9Br2Cl — CID 86677619

IUPAC1-bromo-2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorobenzene
SMILESClc1ccc(Br)c(/C=C\c2ccccc2Br)c1
InChIInChI=1S/C14H9Br2Cl/c15-13-4-2-1-3-10(13)5-6-11-9-12(17)7-8-14(11)16/h1-9H/b6-5-
InChIKeyQIZBOKQNZIQMQP-WAYWQWQTSA-N
MW372.49 g/mol
LogP6.04
Rot. Bonds2

About 1-bromo-2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorobenzene

1-bromo-2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorobenzene (PubChem CID 86677619) has the molecular formula C14H9Br2Cl and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-bromo-2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-bromo-2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorobenzene
PubChem CID86677619
Molecular FormulaC14H9Br2Cl
Molecular Weight372.49 g/mol
Exact Mass369.88
IUPAC Name1-bromo-2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorobenzene
SMILESClc1ccc(Br)c(/C=C\c2ccccc2Br)c1
InChIInChI=1S/C14H9Br2Cl/c15-13-4-2-1-3-10(13)5-6-11-9-12(17)7-8-14(11)16/h1-9H/b6-5-
InChIKeyQIZBOKQNZIQMQP-WAYWQWQTSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 56.04
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-2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorobenzene?
The IUPAC name of 1-bromo-2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorobenzene (CID 86677619) is 1-bromo-2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorobenzene.
What is the SMILES notation for 1-bromo-2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorobenzene?
The canonical SMILES for 1-bromo-2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorobenzene is Clc1ccc(Br)c(/C=C\c2ccccc2Br)c1.
What is the InChIKey of 1-bromo-2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorobenzene?
The InChIKey is QIZBOKQNZIQMQP-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H9Br2Cl/c15-13-4-2-1-3-10(13)5-6-11-9-12(17)7-8-14(11)16/h1-9H/b6-5-.
What are the key properties of 1-bromo-2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorobenzene?
1-bromo-2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorobenzene has a molecular weight of 372.49 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(Z)-2-(2-bromophenyl)ethenyl]-4-chlorobenzene is sourced from PubChem (CID 86677619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).