2-bromo-6-(ethoxymethoxy)naphthalene

C13H13BrO2 — CID 65369248

IUPAC2-bromo-6-(ethoxymethoxy)naphthalene
SMILESCCOCOc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H13BrO2/c1-2-15-9-16-13-6-4-10-7-12(14)5-3-11(10)8-13/h3-8H,2,9H2,1H3
InChIKeySTPQXISIBXXPLD-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.98
Rot. Bonds4

About 2-bromo-6-(ethoxymethoxy)naphthalene

2-bromo-6-(ethoxymethoxy)naphthalene (PubChem CID 65369248) has the molecular formula C13H13BrO2 and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-bromo-6-(ethoxymethoxy)naphthalene.

Molecular Properties

Compound Name2-bromo-6-(ethoxymethoxy)naphthalene
PubChem CID65369248
Molecular FormulaC13H13BrO2
Molecular Weight281.15 g/mol
Exact Mass280.01
IUPAC Name2-bromo-6-(ethoxymethoxy)naphthalene
SMILESCCOCOc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H13BrO2/c1-2-15-9-16-13-6-4-10-7-12(14)5-3-11(10)8-13/h3-8H,2,9H2,1H3
InChIKeySTPQXISIBXXPLD-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(ethoxymethoxy)naphthalene?
The IUPAC name of 2-bromo-6-(ethoxymethoxy)naphthalene (CID 65369248) is 2-bromo-6-(ethoxymethoxy)naphthalene.
What is the SMILES notation for 2-bromo-6-(ethoxymethoxy)naphthalene?
The canonical SMILES for 2-bromo-6-(ethoxymethoxy)naphthalene is CCOCOc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-bromo-6-(ethoxymethoxy)naphthalene?
The InChIKey is STPQXISIBXXPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2/c1-2-15-9-16-13-6-4-10-7-12(14)5-3-11(10)8-13/h3-8H,2,9H2,1H3.
What are the key properties of 2-bromo-6-(ethoxymethoxy)naphthalene?
2-bromo-6-(ethoxymethoxy)naphthalene has a molecular weight of 281.15 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(ethoxymethoxy)naphthalene is sourced from PubChem (CID 65369248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).