8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone

C16H10O6 — CID 131884068

IUPAC8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone
SMILESCOc1cc2c(=O)c3cc(C)cc(O)c3c(=O)c=2c(=O)c1=O
InChIInChI=1S/C16H10O6/c1-6-3-7-11(9(17)4-6)15(20)12-8(13(7)18)5-10(22-2)14(19)16(12)21/h3-5,17H,1-2H3
InChIKeySNWBTBXWBSUUGV-UHFFFAOYSA-N
MW298.25 g/mol
LogP-0.10
Rot. Bonds1

About 8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone

8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone (PubChem CID 131884068) has the molecular formula C16H10O6 and a molecular weight of 298.25 g/mol. Its IUPAC name is 8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone.

Molecular Properties

Compound Name8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone
PubChem CID131884068
Molecular FormulaC16H10O6
Molecular Weight298.25 g/mol
Exact Mass298.05
IUPAC Name8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone
SMILESCOc1cc2c(=O)c3cc(C)cc(O)c3c(=O)c=2c(=O)c1=O
InChIInChI=1S/C16H10O6/c1-6-3-7-11(9(17)4-6)15(20)12-8(13(7)18)5-10(22-2)14(19)16(12)21/h3-5,17H,1-2H3
InChIKeySNWBTBXWBSUUGV-UHFFFAOYSA-N
XLogP-0.10
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone?
The IUPAC name of 8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone (CID 131884068) is 8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone.
What is the SMILES notation for 8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone?
The canonical SMILES for 8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone is COc1cc2c(=O)c3cc(C)cc(O)c3c(=O)c=2c(=O)c1=O.
What is the InChIKey of 8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone?
The InChIKey is SNWBTBXWBSUUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O6/c1-6-3-7-11(9(17)4-6)15(20)12-8(13(7)18)5-10(22-2)14(19)16(12)21/h3-5,17H,1-2H3.
What are the key properties of 8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone?
8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone has a molecular weight of 298.25 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-methoxy-6-methylanthracene-1,2,9,10-tetrone is sourced from PubChem (CID 131884068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).