1,8-dibromo-2-methylnaphthalene

C11H8Br2 — CID 54423684

IUPAC1,8-dibromo-2-methylnaphthalene
SMILESCc1ccc2cccc(Br)c2c1Br
InChIInChI=1S/C11H8Br2/c1-7-5-6-8-3-2-4-9(12)10(8)11(7)13/h2-6H,1H3
InChIKeyWCONBWHLPKNOAR-UHFFFAOYSA-N
MW299.99 g/mol
LogP4.67
Rot. Bonds

About 1,8-dibromo-2-methylnaphthalene

1,8-dibromo-2-methylnaphthalene (PubChem CID 54423684) has the molecular formula C11H8Br2 and a molecular weight of 299.99 g/mol. Its IUPAC name is 1,8-dibromo-2-methylnaphthalene.

Molecular Properties

Compound Name1,8-dibromo-2-methylnaphthalene
PubChem CID54423684
Molecular FormulaC11H8Br2
Molecular Weight299.99 g/mol
Exact Mass297.90
IUPAC Name1,8-dibromo-2-methylnaphthalene
SMILESCc1ccc2cccc(Br)c2c1Br
InChIInChI=1S/C11H8Br2/c1-7-5-6-8-3-2-4-9(12)10(8)11(7)13/h2-6H,1H3
InChIKeyWCONBWHLPKNOAR-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.99
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,8-dibromo-2-methylnaphthalene?
The IUPAC name of 1,8-dibromo-2-methylnaphthalene (CID 54423684) is 1,8-dibromo-2-methylnaphthalene.
What is the SMILES notation for 1,8-dibromo-2-methylnaphthalene?
The canonical SMILES for 1,8-dibromo-2-methylnaphthalene is Cc1ccc2cccc(Br)c2c1Br.
What is the InChIKey of 1,8-dibromo-2-methylnaphthalene?
The InChIKey is WCONBWHLPKNOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2/c1-7-5-6-8-3-2-4-9(12)10(8)11(7)13/h2-6H,1H3.
What are the key properties of 1,8-dibromo-2-methylnaphthalene?
1,8-dibromo-2-methylnaphthalene has a molecular weight of 299.99 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dibromo-2-methylnaphthalene is sourced from PubChem (CID 54423684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).