1-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)benzene

C12H10Br2 — CID 71134577

IUPAC1-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)benzene
SMILESBrC1=CCC(c2ccc(Br)cc2)C=C1
InChIInChI=1S/C12H10Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-3,5-8,10H,4H2
InChIKeyPECATNKMTJFISC-UHFFFAOYSA-N
MW314.02 g/mol
LogP4.77
Rot. Bonds1

About 1-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)benzene

1-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)benzene (PubChem CID 71134577) has the molecular formula C12H10Br2 and a molecular weight of 314.02 g/mol. Its IUPAC name is 1-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)benzene.

Molecular Properties

Compound Name1-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)benzene
PubChem CID71134577
Molecular FormulaC12H10Br2
Molecular Weight314.02 g/mol
Exact Mass311.91
IUPAC Name1-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)benzene
SMILESBrC1=CCC(c2ccc(Br)cc2)C=C1
InChIInChI=1S/C12H10Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-3,5-8,10H,4H2
InChIKeyPECATNKMTJFISC-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.02
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)benzene?
The IUPAC name of 1-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)benzene (CID 71134577) is 1-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)benzene.
What is the SMILES notation for 1-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)benzene?
The canonical SMILES for 1-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)benzene is BrC1=CCC(c2ccc(Br)cc2)C=C1.
What is the InChIKey of 1-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)benzene?
The InChIKey is PECATNKMTJFISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-3,5-8,10H,4H2.
What are the key properties of 1-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)benzene?
1-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)benzene has a molecular weight of 314.02 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)benzene is sourced from PubChem (CID 71134577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).