3-bromo-1-ethenylnaphthalene

C12H9Br — CID 59266401

IUPAC3-bromo-1-ethenylnaphthalene
SMILESC=Cc1cc(Br)cc2ccccc12
InChIInChI=1S/C12H9Br/c1-2-9-7-11(13)8-10-5-3-4-6-12(9)10/h2-8H,1H2
InChIKeyBKLJBHJZMQNOOA-UHFFFAOYSA-N
MW233.11 g/mol
LogP4.25
Rot. Bonds1

About 3-bromo-1-ethenylnaphthalene

3-bromo-1-ethenylnaphthalene (PubChem CID 59266401) has the molecular formula C12H9Br and a molecular weight of 233.11 g/mol. Its IUPAC name is 3-bromo-1-ethenylnaphthalene.

Molecular Properties

Compound Name3-bromo-1-ethenylnaphthalene
PubChem CID59266401
Molecular FormulaC12H9Br
Molecular Weight233.11 g/mol
Exact Mass231.99
IUPAC Name3-bromo-1-ethenylnaphthalene
SMILESC=Cc1cc(Br)cc2ccccc12
InChIInChI=1S/C12H9Br/c1-2-9-7-11(13)8-10-5-3-4-6-12(9)10/h2-8H,1H2
InChIKeyBKLJBHJZMQNOOA-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-bis(ethenyl)phenanthrene
CID 144756778
3-bromo-1-methylnaphthalene
CID 18673607
1,2-bis(ethenyl)benzene;ethene;naphthalene
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1-ethenylnaphthalene;propane
CID 90732485
2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene
CID 143743019
2-ethenyl-1-methylhexacene
CID 143109680
2,3-bis(ethenyl)naphthalene;ethane
CID 142152066
CID 67878092
CID 67878092
1,2-bis(ethenyl)benzene;platinum
CID 175428021
2,3-bis(ethenyl)-1-propylnaphthalene
CID 143956206
3-bromonaphthalene-1-sulfonamide
CID 155937826
3-bromo-1-nitronaphthalene
CID 826291

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-ethenylnaphthalene?
The IUPAC name of 3-bromo-1-ethenylnaphthalene (CID 59266401) is 3-bromo-1-ethenylnaphthalene.
What is the SMILES notation for 3-bromo-1-ethenylnaphthalene?
The canonical SMILES for 3-bromo-1-ethenylnaphthalene is C=Cc1cc(Br)cc2ccccc12.
What is the InChIKey of 3-bromo-1-ethenylnaphthalene?
The InChIKey is BKLJBHJZMQNOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br/c1-2-9-7-11(13)8-10-5-3-4-6-12(9)10/h2-8H,1H2.
What are the key properties of 3-bromo-1-ethenylnaphthalene?
3-bromo-1-ethenylnaphthalene has a molecular weight of 233.11 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-ethenylnaphthalene is sourced from PubChem (CID 59266401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).