1,3,8-trihydroxy-6-methylanthracene-9,10-dione

C15H10O5 — CID 3220

IUPAC1,3,8-trihydroxy-6-methylanthracene-9,10-dione
SMILESCc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O
InChIInChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
InChIKeyRHMXXJGYXNZAPX-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.89
Rot. Bonds

About 1,3,8-trihydroxy-6-methylanthracene-9,10-dione

1,3,8-trihydroxy-6-methylanthracene-9,10-dione (PubChem CID 3220) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 1,3,8-trihydroxy-6-methylanthracene-9,10-dione.

Molecular Properties

Compound Name1,3,8-trihydroxy-6-methylanthracene-9,10-dione
PubChem CID3220
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name1,3,8-trihydroxy-6-methylanthracene-9,10-dione
SMILESCc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O
InChIInChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
InChIKeyRHMXXJGYXNZAPX-UHFFFAOYSA-N
XLogP1.89
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Chrysophanol
CID 10208
Phloretin
CID 4788
Alizarin
CID 6293
Rhein
CID 10168
1,8-Dihydroxyanthraquinone
CID 2950
Anthralin
CID 2202
2,2',4,4'-Tetrahydroxybenzophenone
CID 8571
Purpurin anthraquinone
CID 6683
Atraric Acid
CID 78435
Physcion
CID 10639
Isoliquiritigenin
CID 638278
Quinizarin
CID 6688

Frequently Asked Questions

What is the IUPAC name of 1,3,8-trihydroxy-6-methylanthracene-9,10-dione?
The IUPAC name of 1,3,8-trihydroxy-6-methylanthracene-9,10-dione (CID 3220) is 1,3,8-trihydroxy-6-methylanthracene-9,10-dione.
What is the SMILES notation for 1,3,8-trihydroxy-6-methylanthracene-9,10-dione?
The canonical SMILES for 1,3,8-trihydroxy-6-methylanthracene-9,10-dione is Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O.
What is the InChIKey of 1,3,8-trihydroxy-6-methylanthracene-9,10-dione?
The InChIKey is RHMXXJGYXNZAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3.
What are the key properties of 1,3,8-trihydroxy-6-methylanthracene-9,10-dione?
1,3,8-trihydroxy-6-methylanthracene-9,10-dione has a molecular weight of 270.24 g/mol, XLogP of 1.89, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-trihydroxy-6-methylanthracene-9,10-dione is sourced from PubChem (CID 3220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).