1-hydroxy-5-methylanthracene-9,10-dione

C15H10O3 — CID 10490094

IUPAC1-hydroxy-5-methylanthracene-9,10-dione
SMILESCc1cccc2c1C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C15H10O3/c1-8-4-2-5-9-12(8)14(17)10-6-3-7-11(16)13(10)15(9)18/h2-7,16H,1H3
InChIKeyVWJCJJQIPGBPFT-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.48
Rot. Bonds

About 1-hydroxy-5-methylanthracene-9,10-dione

1-hydroxy-5-methylanthracene-9,10-dione (PubChem CID 10490094) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-hydroxy-5-methylanthracene-9,10-dione.

Molecular Properties

Compound Name1-hydroxy-5-methylanthracene-9,10-dione
PubChem CID10490094
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Name1-hydroxy-5-methylanthracene-9,10-dione
SMILESCc1cccc2c1C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C15H10O3/c1-8-4-2-5-9-12(8)14(17)10-6-3-7-11(16)13(10)15(9)18/h2-7,16H,1H3
InChIKeyVWJCJJQIPGBPFT-UHFFFAOYSA-N
XLogP2.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.48
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 1-hydroxy-5-methylanthracene-9,10-dione?
The IUPAC name of 1-hydroxy-5-methylanthracene-9,10-dione (CID 10490094) is 1-hydroxy-5-methylanthracene-9,10-dione.
What is the SMILES notation for 1-hydroxy-5-methylanthracene-9,10-dione?
The canonical SMILES for 1-hydroxy-5-methylanthracene-9,10-dione is Cc1cccc2c1C(=O)c1cccc(O)c1C2=O.
What is the InChIKey of 1-hydroxy-5-methylanthracene-9,10-dione?
The InChIKey is VWJCJJQIPGBPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3/c1-8-4-2-5-9-12(8)14(17)10-6-3-7-11(16)13(10)15(9)18/h2-7,16H,1H3.
What are the key properties of 1-hydroxy-5-methylanthracene-9,10-dione?
1-hydroxy-5-methylanthracene-9,10-dione has a molecular weight of 238.24 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methylanthracene-9,10-dione is sourced from PubChem (CID 10490094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).