2-hydroxy-2-methyl-1H-anthracene-9,10-dione

C15H12O3 — CID 175034303

IUPAC2-hydroxy-2-methyl-1H-anthracene-9,10-dione
SMILESCC1(O)C=CC2=C(C1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H12O3/c1-15(18)7-6-11-12(8-15)14(17)10-5-3-2-4-9(10)13(11)16/h2-7,18H,8H2,1H3
InChIKeyZKPUKNRQONELCS-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.07
Rot. Bonds

About 2-hydroxy-2-methyl-1H-anthracene-9,10-dione

2-hydroxy-2-methyl-1H-anthracene-9,10-dione (PubChem CID 175034303) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1H-anthracene-9,10-dione.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1H-anthracene-9,10-dione
PubChem CID175034303
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2-hydroxy-2-methyl-1H-anthracene-9,10-dione
SMILESCC1(O)C=CC2=C(C1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H12O3/c1-15(18)7-6-11-12(8-15)14(17)10-5-3-2-4-9(10)13(11)16/h2-7,18H,8H2,1H3
InChIKeyZKPUKNRQONELCS-UHFFFAOYSA-N
XLogP2.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1H-anthracene-9,10-dione?
The IUPAC name of 2-hydroxy-2-methyl-1H-anthracene-9,10-dione (CID 175034303) is 2-hydroxy-2-methyl-1H-anthracene-9,10-dione.
What is the SMILES notation for 2-hydroxy-2-methyl-1H-anthracene-9,10-dione?
The canonical SMILES for 2-hydroxy-2-methyl-1H-anthracene-9,10-dione is CC1(O)C=CC2=C(C1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-hydroxy-2-methyl-1H-anthracene-9,10-dione?
The InChIKey is ZKPUKNRQONELCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-15(18)7-6-11-12(8-15)14(17)10-5-3-2-4-9(10)13(11)16/h2-7,18H,8H2,1H3.
What are the key properties of 2-hydroxy-2-methyl-1H-anthracene-9,10-dione?
2-hydroxy-2-methyl-1H-anthracene-9,10-dione has a molecular weight of 240.26 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1H-anthracene-9,10-dione is sourced from PubChem (CID 175034303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).