2,4-dibromo-1-methoxynaphthalene

C11H8Br2O — CID 3572059

IUPAC2,4-dibromo-1-methoxynaphthalene
SMILESCOc1c(Br)cc(Br)c2ccccc12
InChIInChI=1S/C11H8Br2O/c1-14-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-6H,1H3
InChIKeyHNLGVRSNVMKQMJ-UHFFFAOYSA-N
MW315.99 g/mol
LogP4.37
Rot. Bonds1

About 2,4-dibromo-1-methoxynaphthalene

2,4-dibromo-1-methoxynaphthalene (PubChem CID 3572059) has the molecular formula C11H8Br2O and a molecular weight of 315.99 g/mol. Its IUPAC name is 2,4-dibromo-1-methoxynaphthalene.

Molecular Properties

Compound Name2,4-dibromo-1-methoxynaphthalene
PubChem CID3572059
Molecular FormulaC11H8Br2O
Molecular Weight315.99 g/mol
Exact Mass313.89
IUPAC Name2,4-dibromo-1-methoxynaphthalene
SMILESCOc1c(Br)cc(Br)c2ccccc12
InChIInChI=1S/C11H8Br2O/c1-14-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-6H,1H3
InChIKeyHNLGVRSNVMKQMJ-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 2,4-dibromo-1-methoxynaphthalene?
The IUPAC name of 2,4-dibromo-1-methoxynaphthalene (CID 3572059) is 2,4-dibromo-1-methoxynaphthalene.
What is the SMILES notation for 2,4-dibromo-1-methoxynaphthalene?
The canonical SMILES for 2,4-dibromo-1-methoxynaphthalene is COc1c(Br)cc(Br)c2ccccc12.
What is the InChIKey of 2,4-dibromo-1-methoxynaphthalene?
The InChIKey is HNLGVRSNVMKQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2O/c1-14-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-6H,1H3.
What are the key properties of 2,4-dibromo-1-methoxynaphthalene?
2,4-dibromo-1-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 2,4-dibromo-1-methoxynaphthalene is sourced from PubChem (CID 3572059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).