10-hydroperoxy-10-methoxyanthracen-9-one

C15H12O4 — CID 12601747

IUPAC10-hydroperoxy-10-methoxyanthracen-9-one
SMILESCOC1(OO)c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C15H12O4/c1-18-15(19-17)12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-9,17H,1H3
InChIKeyXXLMTUGBTCPQAZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.57
Rot. Bonds2

About 10-hydroperoxy-10-methoxyanthracen-9-one

10-hydroperoxy-10-methoxyanthracen-9-one (PubChem CID 12601747) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 10-hydroperoxy-10-methoxyanthracen-9-one.

Molecular Properties

Compound Name10-hydroperoxy-10-methoxyanthracen-9-one
PubChem CID12601747
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name10-hydroperoxy-10-methoxyanthracen-9-one
SMILESCOC1(OO)c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C15H12O4/c1-18-15(19-17)12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-9,17H,1H3
InChIKeyXXLMTUGBTCPQAZ-UHFFFAOYSA-N
XLogP2.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

10-ethoxy-10-hydroperoxy-2-methylanthracen-9-one
CID 156632250
methyl 2-(9-hydroperoxy-3-methyl-10-oxoanthracen-9-yl)oxyacetate
CID 156632186
3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium
CID 10082183
(2-methylphenyl) 2-(9-hydroperoxy-10-oxoanthracen-9-yl)oxyacetate
CID 156632120
(3-chloro-9-hydroperoxy-10-oxoanthracen-9-yl) 2-methylpropanoate
CID 156632122
10-butoxy-10-hydroperoxy-2-pentylanthracen-9-one
CID 156632281
ethyl 2-(3-chloro-9-hydroperoxy-10-oxoanthracen-9-yl)oxyacetate
CID 156632204
(9-hydroperoxy-3-methyl-10-oxoanthracen-9-yl) 2-methylpropyl carbonate
CID 156632254
(9-hydroperoxy-10-oxo-3-pentylanthracen-9-yl) octanoate
CID 156632242
ethyl (9-hydroperoxy-10-oxo-3-pentylanthracen-9-yl) carbonate
CID 156632096
10-benzyl-10-hydroxyanthracen-9-one
CID 12660749
(9-methylsulfonyloxyfluoren-9-yl) methanesulfonate
CID 22572228

Frequently Asked Questions

What is the IUPAC name of 10-hydroperoxy-10-methoxyanthracen-9-one?
The IUPAC name of 10-hydroperoxy-10-methoxyanthracen-9-one (CID 12601747) is 10-hydroperoxy-10-methoxyanthracen-9-one.
What is the SMILES notation for 10-hydroperoxy-10-methoxyanthracen-9-one?
The canonical SMILES for 10-hydroperoxy-10-methoxyanthracen-9-one is COC1(OO)c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of 10-hydroperoxy-10-methoxyanthracen-9-one?
The InChIKey is XXLMTUGBTCPQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-18-15(19-17)12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-9,17H,1H3.
What are the key properties of 10-hydroperoxy-10-methoxyanthracen-9-one?
10-hydroperoxy-10-methoxyanthracen-9-one has a molecular weight of 256.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroperoxy-10-methoxyanthracen-9-one is sourced from PubChem (CID 12601747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).