8-hydroxy-1,3-dimethoxyanthracene-9,10-dione

C32H24O10 — CID 158328422

IUPAC8-hydroxy-1,3-dimethoxyanthracene-9,10-dione
SMILESCOc1cc(OC)c2c(c1)C(=O)c1cccc(O)c1C2=O.COc1cc(OC)c2c(c1)C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/2C16H12O5/c2*1-20-8-6-10-14(12(7-8)21-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h2*3-7,17H,1-2H3
InChIKeyGPRWNDQOQCUMNE-UHFFFAOYSA-N
MW568.53 g/mol
LogP4.37
Rot. Bonds4

About 8-hydroxy-1,3-dimethoxyanthracene-9,10-dione

8-hydroxy-1,3-dimethoxyanthracene-9,10-dione (PubChem CID 158328422) has the molecular formula C32H24O10 and a molecular weight of 568.53 g/mol. Its IUPAC name is 8-hydroxy-1,3-dimethoxyanthracene-9,10-dione.

Molecular Properties

Compound Name8-hydroxy-1,3-dimethoxyanthracene-9,10-dione
PubChem CID158328422
Molecular FormulaC32H24O10
Molecular Weight568.53 g/mol
Exact Mass568.14
IUPAC Name8-hydroxy-1,3-dimethoxyanthracene-9,10-dione
SMILESCOc1cc(OC)c2c(c1)C(=O)c1cccc(O)c1C2=O.COc1cc(OC)c2c(c1)C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/2C16H12O5/c2*1-20-8-6-10-14(12(7-8)21-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h2*3-7,17H,1-2H3
InChIKeyGPRWNDQOQCUMNE-UHFFFAOYSA-N
XLogP4.37
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.53
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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 8-hydroxy-1,3-dimethoxyanthracene-9,10-dione?
The IUPAC name of 8-hydroxy-1,3-dimethoxyanthracene-9,10-dione (CID 158328422) is 8-hydroxy-1,3-dimethoxyanthracene-9,10-dione.
What is the SMILES notation for 8-hydroxy-1,3-dimethoxyanthracene-9,10-dione?
The canonical SMILES for 8-hydroxy-1,3-dimethoxyanthracene-9,10-dione is COc1cc(OC)c2c(c1)C(=O)c1cccc(O)c1C2=O.COc1cc(OC)c2c(c1)C(=O)c1cccc(O)c1C2=O.
What is the InChIKey of 8-hydroxy-1,3-dimethoxyanthracene-9,10-dione?
The InChIKey is GPRWNDQOQCUMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H12O5/c2*1-20-8-6-10-14(12(7-8)21-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h2*3-7,17H,1-2H3.
What are the key properties of 8-hydroxy-1,3-dimethoxyanthracene-9,10-dione?
8-hydroxy-1,3-dimethoxyanthracene-9,10-dione has a molecular weight of 568.53 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1,3-dimethoxyanthracene-9,10-dione is sourced from PubChem (CID 158328422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).