2-methoxyanthracene-9,10-dione

C15H10O3 — CID 18646

IUPAC2-methoxyanthracene-9,10-dione
SMILESCOc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10O3/c1-18-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3
InChIKeyAPLQXUAECQNQFE-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.47
Rot. Bonds1

About 2-methoxyanthracene-9,10-dione

2-methoxyanthracene-9,10-dione (PubChem CID 18646) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-methoxyanthracene-9,10-dione.

Molecular Properties

Compound Name2-methoxyanthracene-9,10-dione
PubChem CID18646
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Name2-methoxyanthracene-9,10-dione
SMILESCOc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10O3/c1-18-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3
InChIKeyAPLQXUAECQNQFE-UHFFFAOYSA-N
XLogP2.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

Nabumetone
CID 4409
Avobenzone
CID 51040
2,6-Dihydroxyanthraquinone
CID 6776
4'-Methoxychalcone
CID 641818
Cra 13
CID 9799417
1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
CID 31494
6-Methoxy-alpha-tetralone
CID 14112
Menbutone
CID 71818
2-Hydroxyanthraquinone
CID 11796
4,4'-Dimethoxybenzil
CID 71043
O-(p-Anisoyl)benzoic acid
CID 231963
1,4-Dimethoxyanthraquinone
CID 266054

Frequently Asked Questions

What is the IUPAC name of 2-methoxyanthracene-9,10-dione?
The IUPAC name of 2-methoxyanthracene-9,10-dione (CID 18646) is 2-methoxyanthracene-9,10-dione.
What is the SMILES notation for 2-methoxyanthracene-9,10-dione?
The canonical SMILES for 2-methoxyanthracene-9,10-dione is COc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methoxyanthracene-9,10-dione?
The InChIKey is APLQXUAECQNQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3/c1-18-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3.
What are the key properties of 2-methoxyanthracene-9,10-dione?
2-methoxyanthracene-9,10-dione has a molecular weight of 238.24 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyanthracene-9,10-dione is sourced from PubChem (CID 18646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).