1,6-dibromo-2-methoxynaphthalene

C11H8Br2O — CID 3503057

IUPAC1,6-dibromo-2-methoxynaphthalene
SMILESCOc1ccc2cc(Br)ccc2c1Br
InChIInChI=1S/C11H8Br2O/c1-14-10-5-2-7-6-8(12)3-4-9(7)11(10)13/h2-6H,1H3
InChIKeyHFEOLDKRKNUVAD-UHFFFAOYSA-N
MW315.99 g/mol
LogP4.37
Rot. Bonds1

About 1,6-dibromo-2-methoxynaphthalene

1,6-dibromo-2-methoxynaphthalene (PubChem CID 3503057) has the molecular formula C11H8Br2O and a molecular weight of 315.99 g/mol. Its IUPAC name is 1,6-dibromo-2-methoxynaphthalene.

Molecular Properties

Compound Name1,6-dibromo-2-methoxynaphthalene
PubChem CID3503057
Molecular FormulaC11H8Br2O
Molecular Weight315.99 g/mol
Exact Mass313.89
IUPAC Name1,6-dibromo-2-methoxynaphthalene
SMILESCOc1ccc2cc(Br)ccc2c1Br
InChIInChI=1S/C11H8Br2O/c1-14-10-5-2-7-6-8(12)3-4-9(7)11(10)13/h2-6H,1H3
InChIKeyHFEOLDKRKNUVAD-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.99
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6-dibromo-2-methoxynaphthalene?
The IUPAC name of 1,6-dibromo-2-methoxynaphthalene (CID 3503057) is 1,6-dibromo-2-methoxynaphthalene.
What is the SMILES notation for 1,6-dibromo-2-methoxynaphthalene?
The canonical SMILES for 1,6-dibromo-2-methoxynaphthalene is COc1ccc2cc(Br)ccc2c1Br.
What is the InChIKey of 1,6-dibromo-2-methoxynaphthalene?
The InChIKey is HFEOLDKRKNUVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2O/c1-14-10-5-2-7-6-8(12)3-4-9(7)11(10)13/h2-6H,1H3.
What are the key properties of 1,6-dibromo-2-methoxynaphthalene?
1,6-dibromo-2-methoxynaphthalene has a molecular weight of 315.99 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dibromo-2-methoxynaphthalene is sourced from PubChem (CID 3503057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).