9-chloro-2-methoxyanthracene

C15H11ClO — CID 139968553

IUPAC9-chloro-2-methoxyanthracene
SMILESCOc1ccc2cc3ccccc3c(Cl)c2c1
InChIInChI=1S/C15H11ClO/c1-17-12-7-6-11-8-10-4-2-3-5-13(10)15(16)14(11)9-12/h2-9H,1H3
InChIKeyUYTYUEDLAIUBQA-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.66
Rot. Bonds1

About 9-chloro-2-methoxyanthracene

9-chloro-2-methoxyanthracene (PubChem CID 139968553) has the molecular formula C15H11ClO and a molecular weight of 242.71 g/mol. Its IUPAC name is 9-chloro-2-methoxyanthracene.

Molecular Properties

Compound Name9-chloro-2-methoxyanthracene
PubChem CID139968553
Molecular FormulaC15H11ClO
Molecular Weight242.71 g/mol
Exact Mass242.05
IUPAC Name9-chloro-2-methoxyanthracene
SMILESCOc1ccc2cc3ccccc3c(Cl)c2c1
InChIInChI=1S/C15H11ClO/c1-17-12-7-6-11-8-10-4-2-3-5-13(10)15(16)14(11)9-12/h2-9H,1H3
InChIKeyUYTYUEDLAIUBQA-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-chloro-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-chloro-2-methoxyanthracene?
The IUPAC name of 9-chloro-2-methoxyanthracene (CID 139968553) is 9-chloro-2-methoxyanthracene.
What is the SMILES notation for 9-chloro-2-methoxyanthracene?
The canonical SMILES for 9-chloro-2-methoxyanthracene is COc1ccc2cc3ccccc3c(Cl)c2c1.
What is the InChIKey of 9-chloro-2-methoxyanthracene?
The InChIKey is UYTYUEDLAIUBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO/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-chloro-2-methoxyanthracene?
9-chloro-2-methoxyanthracene has a molecular weight of 242.71 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-methoxyanthracene is sourced from PubChem (CID 139968553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).