1,3,5-trihydroxyanthracene-9,10-dione

C14H8O5 — CID 11265324

IUPAC1,3,5-trihydroxyanthracene-9,10-dione
SMILESO=C1c2cc(O)cc(O)c2C(=O)c2cccc(O)c21
InChIInChI=1S/C14H8O5/c15-6-4-8-12(10(17)5-6)13(18)7-2-1-3-9(16)11(7)14(8)19/h1-5,15-17H
InChIKeyNAOLWIGVYRIGTP-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.58
Rot. Bonds

About 1,3,5-trihydroxyanthracene-9,10-dione

1,3,5-trihydroxyanthracene-9,10-dione (PubChem CID 11265324) has the molecular formula C14H8O5 and a molecular weight of 256.21 g/mol. Its IUPAC name is 1,3,5-trihydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name1,3,5-trihydroxyanthracene-9,10-dione
PubChem CID11265324
Molecular FormulaC14H8O5
Molecular Weight256.21 g/mol
Exact Mass256.04
IUPAC Name1,3,5-trihydroxyanthracene-9,10-dione
SMILESO=C1c2cc(O)cc(O)c2C(=O)c2cccc(O)c21
InChIInChI=1S/C14H8O5/c15-6-4-8-12(10(17)5-6)13(18)7-2-1-3-9(16)11(7)14(8)19/h1-5,15-17H
InChIKeyNAOLWIGVYRIGTP-UHFFFAOYSA-N
XLogP1.58
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.58
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

1-hydroxy-5-methylanthracene-9,10-dione
CID 10490094
CID 158452185
CID 158452185
1-chloro-5-hydroxyanthracene-9,10-dione
CID 12631756
1,4,5-trihydroxy-2-methylanthracene-9,10-dione
CID 10151
4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
CID 159899695
1,3,5-trihydroxy-9,10-dioxoanthracene-2-carbaldehyde
CID 5320212
4,5-dihydroxy-9,10-dioxoanthracene-2-carboxamide
CID 54404292
magnesium 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
CID 42646237
5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde
CID 143619617
potassium 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylate
CID 42646236
2-(chloromethyl)-1,4,5-trihydroxyanthracene-9,10-dione
CID 95931121
1,3,4,5-tetrahydroxy-2-methylanthracene-9,10-dione
CID 71325692

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trihydroxyanthracene-9,10-dione?
The IUPAC name of 1,3,5-trihydroxyanthracene-9,10-dione (CID 11265324) is 1,3,5-trihydroxyanthracene-9,10-dione.
What is the SMILES notation for 1,3,5-trihydroxyanthracene-9,10-dione?
The canonical SMILES for 1,3,5-trihydroxyanthracene-9,10-dione is O=C1c2cc(O)cc(O)c2C(=O)c2cccc(O)c21.
What is the InChIKey of 1,3,5-trihydroxyanthracene-9,10-dione?
The InChIKey is NAOLWIGVYRIGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O5/c15-6-4-8-12(10(17)5-6)13(18)7-2-1-3-9(16)11(7)14(8)19/h1-5,15-17H.
What are the key properties of 1,3,5-trihydroxyanthracene-9,10-dione?
1,3,5-trihydroxyanthracene-9,10-dione has a molecular weight of 256.21 g/mol, XLogP of 1.58, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trihydroxyanthracene-9,10-dione is sourced from PubChem (CID 11265324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).