1-bromo-6-methylnaphthalene

C11H9Br — CID 640593

IUPAC1-bromo-6-methylnaphthalene
SMILESCc1ccc2c(Br)cccc2c1
InChIInChI=1S/C11H9Br/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h2-7H,1H3
InChIKeyBEDPUGSDUDHPMR-UHFFFAOYSA-N
MW221.10 g/mol
LogP3.91
Rot. Bonds

About 1-bromo-6-methylnaphthalene

1-bromo-6-methylnaphthalene (PubChem CID 640593) has the molecular formula C11H9Br and a molecular weight of 221.10 g/mol. Its IUPAC name is 1-bromo-6-methylnaphthalene.

Molecular Properties

Compound Name1-bromo-6-methylnaphthalene
PubChem CID640593
Molecular FormulaC11H9Br
Molecular Weight221.10 g/mol
Exact Mass219.99
IUPAC Name1-bromo-6-methylnaphthalene
SMILESCc1ccc2c(Br)cccc2c1
InChIInChI=1S/C11H9Br/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h2-7H,1H3
InChIKeyBEDPUGSDUDHPMR-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.10
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-methylnaphthalene?
The IUPAC name of 1-bromo-6-methylnaphthalene (CID 640593) is 1-bromo-6-methylnaphthalene.
What is the SMILES notation for 1-bromo-6-methylnaphthalene?
The canonical SMILES for 1-bromo-6-methylnaphthalene is Cc1ccc2c(Br)cccc2c1.
What is the InChIKey of 1-bromo-6-methylnaphthalene?
The InChIKey is BEDPUGSDUDHPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h2-7H,1H3.
What are the key properties of 1-bromo-6-methylnaphthalene?
1-bromo-6-methylnaphthalene has a molecular weight of 221.10 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-methylnaphthalene is sourced from PubChem (CID 640593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).