4-hydroperoxy-4-methylnaphthalen-1-one

C11H10O3 — CID 13383451

IUPAC4-hydroperoxy-4-methylnaphthalen-1-one
SMILESCC1(OO)C=CC(=O)c2ccccc21
InChIInChI=1S/C11H10O3/c1-11(14-13)7-6-10(12)8-4-2-3-5-9(8)11/h2-7,13H,1H3
InChIKeyGCGUVMJYKVWFSG-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.14
Rot. Bonds1

About 4-hydroperoxy-4-methylnaphthalen-1-one

4-hydroperoxy-4-methylnaphthalen-1-one (PubChem CID 13383451) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-hydroperoxy-4-methylnaphthalen-1-one.

Molecular Properties

Compound Name4-hydroperoxy-4-methylnaphthalen-1-one
PubChem CID13383451
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name4-hydroperoxy-4-methylnaphthalen-1-one
SMILESCC1(OO)C=CC(=O)c2ccccc21
InChIInChI=1S/C11H10O3/c1-11(14-13)7-6-10(12)8-4-2-3-5-9(8)11/h2-7,13H,1H3
InChIKeyGCGUVMJYKVWFSG-UHFFFAOYSA-N
XLogP2.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroperoxy-4-methylnaphthalen-1-one?
The IUPAC name of 4-hydroperoxy-4-methylnaphthalen-1-one (CID 13383451) is 4-hydroperoxy-4-methylnaphthalen-1-one.
What is the SMILES notation for 4-hydroperoxy-4-methylnaphthalen-1-one?
The canonical SMILES for 4-hydroperoxy-4-methylnaphthalen-1-one is CC1(OO)C=CC(=O)c2ccccc21.
What is the InChIKey of 4-hydroperoxy-4-methylnaphthalen-1-one?
The InChIKey is GCGUVMJYKVWFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-11(14-13)7-6-10(12)8-4-2-3-5-9(8)11/h2-7,13H,1H3.
What are the key properties of 4-hydroperoxy-4-methylnaphthalen-1-one?
4-hydroperoxy-4-methylnaphthalen-1-one has a molecular weight of 190.20 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroperoxy-4-methylnaphthalen-1-one is sourced from PubChem (CID 13383451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).