6-bromo-1,8a-dihydronaphthalene

C10H9Br — CID 22121387

IUPAC6-bromo-1,8a-dihydronaphthalene
SMILESBrC1=CC2=CC=CCC2C=C1
InChIInChI=1S/C10H9Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-2,4-8H,3H2
InChIKeyRDDXEZUAUHWIGL-UHFFFAOYSA-N
MW209.09 g/mol
LogP3.34
Rot. Bonds

About 6-bromo-1,8a-dihydronaphthalene

6-bromo-1,8a-dihydronaphthalene (PubChem CID 22121387) has the molecular formula C10H9Br and a molecular weight of 209.09 g/mol. Its IUPAC name is 6-bromo-1,8a-dihydronaphthalene.

Molecular Properties

Compound Name6-bromo-1,8a-dihydronaphthalene
PubChem CID22121387
Molecular FormulaC10H9Br
Molecular Weight209.09 g/mol
Exact Mass207.99
IUPAC Name6-bromo-1,8a-dihydronaphthalene
SMILESBrC1=CC2=CC=CCC2C=C1
InChIInChI=1S/C10H9Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-2,4-8H,3H2
InChIKeyRDDXEZUAUHWIGL-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.09
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,8a-dihydronaphthalene?
The IUPAC name of 6-bromo-1,8a-dihydronaphthalene (CID 22121387) is 6-bromo-1,8a-dihydronaphthalene.
What is the SMILES notation for 6-bromo-1,8a-dihydronaphthalene?
The canonical SMILES for 6-bromo-1,8a-dihydronaphthalene is BrC1=CC2=CC=CCC2C=C1.
What is the InChIKey of 6-bromo-1,8a-dihydronaphthalene?
The InChIKey is RDDXEZUAUHWIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-2,4-8H,3H2.
What are the key properties of 6-bromo-1,8a-dihydronaphthalene?
6-bromo-1,8a-dihydronaphthalene has a molecular weight of 209.09 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,8a-dihydronaphthalene is sourced from PubChem (CID 22121387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).