9-methoxyanthracene

C15H12O — CID 16965

IUPAC9-methoxyanthracene
SMILESCOc1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H12O/c1-16-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3
InChIKeyDVRKZTKTNYRYLF-UHFFFAOYSA-N
MW208.26 g/mol
LogP4.00
Rot. Bonds1

About 9-methoxyanthracene

9-methoxyanthracene (PubChem CID 16965) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 9-methoxyanthracene.

Molecular Properties

Compound Name9-methoxyanthracene
PubChem CID16965
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name9-methoxyanthracene
SMILESCOc1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H12O/c1-16-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3
InChIKeyDVRKZTKTNYRYLF-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methoxyanthracene?
The IUPAC name of 9-methoxyanthracene (CID 16965) is 9-methoxyanthracene.
What is the SMILES notation for 9-methoxyanthracene?
The canonical SMILES for 9-methoxyanthracene is COc1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-methoxyanthracene?
The InChIKey is DVRKZTKTNYRYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-16-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3.
What are the key properties of 9-methoxyanthracene?
9-methoxyanthracene has a molecular weight of 208.26 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxyanthracene is sourced from PubChem (CID 16965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).