1-bromo-4-[2-(4-bromocyclohexa-1,3-dien-1-yl)ethenyl]benzene

C14H12Br2 — CID 130391856

IUPAC1-bromo-4-[2-(4-bromocyclohexa-1,3-dien-1-yl)ethenyl]benzene
SMILESBrC1=CC=C(C=Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H12Br2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-5,7-9H,6,10H2
InChIKeyPOANXNLYFULFTL-UHFFFAOYSA-N
MW340.06 g/mol
LogP5.46
Rot. Bonds2

About 1-bromo-4-[2-(4-bromocyclohexa-1,3-dien-1-yl)ethenyl]benzene

1-bromo-4-[2-(4-bromocyclohexa-1,3-dien-1-yl)ethenyl]benzene (PubChem CID 130391856) has the molecular formula C14H12Br2 and a molecular weight of 340.06 g/mol. Its IUPAC name is 1-bromo-4-[2-(4-bromocyclohexa-1,3-dien-1-yl)ethenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-(4-bromocyclohexa-1,3-dien-1-yl)ethenyl]benzene
PubChem CID130391856
Molecular FormulaC14H12Br2
Molecular Weight340.06 g/mol
Exact Mass337.93
IUPAC Name1-bromo-4-[2-(4-bromocyclohexa-1,3-dien-1-yl)ethenyl]benzene
SMILESBrC1=CC=C(C=Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H12Br2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-5,7-9H,6,10H2
InChIKeyPOANXNLYFULFTL-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.06
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 165349864
3-[2-(4-bromophenyl)ethenyl]-2H-furan-5-one
CID 54332858
1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
CID 85439739
2,7-bis[2-(4-bromophenyl)ethenyl]naphthalene
CID 71410772
1-[(E)-2-(4-ethylcyclohexa-1,3-dien-1-yl)ethenyl]-4-[(E)-2-phenylethenyl]benzene
CID 164529280
1-[(E)-2-(4-bromophenyl)ethenyl]piperidine
CID 146169747
2-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 70367525
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671
N-[4-[2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]cyclohexa-1,3-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89331361
2,6-dibromo-4-[2-(4-bromophenyl)ethenyl]phenol
CID 75104079
(1S)-2-[4-[(E)-2-(4-bromophenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-phenylethanol
CID 6549292
4-[(E)-2-(4-bromophenyl)ethenyl]-2H-triazole
CID 155653556

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-(4-bromocyclohexa-1,3-dien-1-yl)ethenyl]benzene?
The IUPAC name of 1-bromo-4-[2-(4-bromocyclohexa-1,3-dien-1-yl)ethenyl]benzene (CID 130391856) is 1-bromo-4-[2-(4-bromocyclohexa-1,3-dien-1-yl)ethenyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-(4-bromocyclohexa-1,3-dien-1-yl)ethenyl]benzene?
The canonical SMILES for 1-bromo-4-[2-(4-bromocyclohexa-1,3-dien-1-yl)ethenyl]benzene is BrC1=CC=C(C=Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-bromo-4-[2-(4-bromocyclohexa-1,3-dien-1-yl)ethenyl]benzene?
The InChIKey is POANXNLYFULFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-5,7-9H,6,10H2.
What are the key properties of 1-bromo-4-[2-(4-bromocyclohexa-1,3-dien-1-yl)ethenyl]benzene?
1-bromo-4-[2-(4-bromocyclohexa-1,3-dien-1-yl)ethenyl]benzene has a molecular weight of 340.06 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-(4-bromocyclohexa-1,3-dien-1-yl)ethenyl]benzene is sourced from PubChem (CID 130391856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).