1-[dibromo(methoxy)methoxy]naphthalene

C12H10Br2O2 — CID 168966403

IUPAC1-[dibromo(methoxy)methoxy]naphthalene
SMILESCOC(Br)(Br)Oc1cccc2ccccc12
InChIInChI=1S/C12H10Br2O2/c1-15-12(13,14)16-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyQOVAEKIPKRLJMP-UHFFFAOYSA-N
MW346.02 g/mol
LogP4.27
Rot. Bonds3

About 1-[dibromo(methoxy)methoxy]naphthalene

1-[dibromo(methoxy)methoxy]naphthalene (PubChem CID 168966403) has the molecular formula C12H10Br2O2 and a molecular weight of 346.02 g/mol. Its IUPAC name is 1-[dibromo(methoxy)methoxy]naphthalene.

Molecular Properties

Compound Name1-[dibromo(methoxy)methoxy]naphthalene
PubChem CID168966403
Molecular FormulaC12H10Br2O2
Molecular Weight346.02 g/mol
Exact Mass343.90
IUPAC Name1-[dibromo(methoxy)methoxy]naphthalene
SMILESCOC(Br)(Br)Oc1cccc2ccccc12
InChIInChI=1S/C12H10Br2O2/c1-15-12(13,14)16-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyQOVAEKIPKRLJMP-UHFFFAOYSA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.02
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 1-[dibromo(methoxy)methoxy]naphthalene?
The IUPAC name of 1-[dibromo(methoxy)methoxy]naphthalene (CID 168966403) is 1-[dibromo(methoxy)methoxy]naphthalene.
What is the SMILES notation for 1-[dibromo(methoxy)methoxy]naphthalene?
The canonical SMILES for 1-[dibromo(methoxy)methoxy]naphthalene is COC(Br)(Br)Oc1cccc2ccccc12.
What is the InChIKey of 1-[dibromo(methoxy)methoxy]naphthalene?
The InChIKey is QOVAEKIPKRLJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2O2/c1-15-12(13,14)16-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3.
What are the key properties of 1-[dibromo(methoxy)methoxy]naphthalene?
1-[dibromo(methoxy)methoxy]naphthalene has a molecular weight of 346.02 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dibromo(methoxy)methoxy]naphthalene is sourced from PubChem (CID 168966403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).