9-bromo-2-methoxyanthracene

C15H11BrO — CID 11011618

IUPAC9-bromo-2-methoxyanthracene
SMILESCOc1ccc2cc3ccccc3c(Br)c2c1
InChIInChI=1S/C15H11BrO/c1-17-12-7-6-11-8-10-4-2-3-5-13(10)15(16)14(11)9-12/h2-9H,1H3
InChIKeyOVNQKJPJKSROEM-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.76
Rot. Bonds1

About 9-bromo-2-methoxyanthracene

9-bromo-2-methoxyanthracene (PubChem CID 11011618) has the molecular formula C15H11BrO and a molecular weight of 287.16 g/mol. Its IUPAC name is 9-bromo-2-methoxyanthracene.

Molecular Properties

Compound Name9-bromo-2-methoxyanthracene
PubChem CID11011618
Molecular FormulaC15H11BrO
Molecular Weight287.16 g/mol
Exact Mass286.00
IUPAC Name9-bromo-2-methoxyanthracene
SMILESCOc1ccc2cc3ccccc3c(Br)c2c1
InChIInChI=1S/C15H11BrO/c1-17-12-7-6-11-8-10-4-2-3-5-13(10)15(16)14(11)9-12/h2-9H,1H3
InChIKeyOVNQKJPJKSROEM-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-bromo-2-methoxyanthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-methoxyanthracene?
The IUPAC name of 9-bromo-2-methoxyanthracene (CID 11011618) is 9-bromo-2-methoxyanthracene.
What is the SMILES notation for 9-bromo-2-methoxyanthracene?
The canonical SMILES for 9-bromo-2-methoxyanthracene is COc1ccc2cc3ccccc3c(Br)c2c1.
What is the InChIKey of 9-bromo-2-methoxyanthracene?
The InChIKey is OVNQKJPJKSROEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO/c1-17-12-7-6-11-8-10-4-2-3-5-13(10)15(16)14(11)9-12/h2-9H,1H3.
What are the key properties of 9-bromo-2-methoxyanthracene?
9-bromo-2-methoxyanthracene has a molecular weight of 287.16 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-methoxyanthracene is sourced from PubChem (CID 11011618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).