6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one

C20H20O5 — CID 15940065

IUPAC6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one
SMILESCC(=O)c1c(C)cc2cc3c(c(O)c2c1O)C(O)=C(C)C(=O)C3(C)C
InChIInChI=1S/C20H20O5/c1-8-6-11-7-12-15(16(22)9(2)19(25)20(12,4)5)18(24)14(11)17(23)13(8)10(3)21/h6-7,22-24H,1-5H3
InChIKeyWVQSFFSLBOWMAA-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.91
Rot. Bonds1

About 6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one

6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one (PubChem CID 15940065) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one.

Molecular Properties

Compound Name6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one
PubChem CID15940065
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one
SMILESCC(=O)c1c(C)cc2cc3c(c(O)c2c1O)C(O)=C(C)C(=O)C3(C)C
InChIInChI=1S/C20H20O5/c1-8-6-11-7-12-15(16(22)9(2)19(25)20(12,4)5)18(24)14(11)17(23)13(8)10(3)21/h6-7,22-24H,1-5H3
InChIKeyWVQSFFSLBOWMAA-UHFFFAOYSA-N
XLogP3.91
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one?
The IUPAC name of 6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one (CID 15940065) is 6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one.
What is the SMILES notation for 6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one?
The canonical SMILES for 6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one is CC(=O)c1c(C)cc2cc3c(c(O)c2c1O)C(O)=C(C)C(=O)C3(C)C.
What is the InChIKey of 6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one?
The InChIKey is WVQSFFSLBOWMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-8-6-11-7-12-15(16(22)9(2)19(25)20(12,4)5)18(24)14(11)17(23)13(8)10(3)21/h6-7,22-24H,1-5H3.
What are the key properties of 6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one?
6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one has a molecular weight of 340.38 g/mol, XLogP of 3.91, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-4,5,10-trihydroxy-1,1,3,7-tetramethylanthracen-2-one is sourced from PubChem (CID 15940065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).