1,2,3-trihydroxyanthracene-9,10-dione

C14H8O5 — CID 11768

IUPAC1,2,3-trihydroxyanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1cc(O)c(O)c2O
InChIInChI=1S/C14H8O5/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,15,18-19H
InChIKeyAHKDJQYHVWSRLT-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.58
Rot. Bonds

About 1,2,3-trihydroxyanthracene-9,10-dione

1,2,3-trihydroxyanthracene-9,10-dione (PubChem CID 11768) has the molecular formula C14H8O5 and a molecular weight of 256.21 g/mol. Its IUPAC name is 1,2,3-trihydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name1,2,3-trihydroxyanthracene-9,10-dione
PubChem CID11768
Molecular FormulaC14H8O5
Molecular Weight256.21 g/mol
Exact Mass256.04
IUPAC Name1,2,3-trihydroxyanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1cc(O)c(O)c2O
InChIInChI=1S/C14H8O5/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,15,18-19H
InChIKeyAHKDJQYHVWSRLT-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'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-9,10-dioxoanthracene-1-carboxylic acid
CID 68853397
1,3-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid
CID 142779227
2,3-dihydroxyanthracene-9,10-dione
CID 11031986
1,2-dihydroxyanthracene-9,10-dione;1,2,4-trihydroxyanthracene-9,10-dione
CID 87387452
1,2-dihydroxyanthracene-9,10-dione;tetrahydrochloride
CID 159491236
trisodium;3,4-dihydroxy-9,10-dioxoanthracene-2-sulfonate
CID 20846367
3-(diethylaminomethyl)-1,2-dihydroxyanthracene-9,10-dione
CID 15731144
2-[carboxymethyl-[(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]amino]acetic acid;hydrate
CID 153440454
sodium 1-hydroxy-9,10-dioxo-3-sulfoanthracen-2-olate
CID 78582561
1,2-dihydroxyanthracene-9,10-dione;ethanol
CID 68974663
3-[2-carboxyethyl-[(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]amino]propanoic acid
CID 67652104
CID 158452185
CID 158452185

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trihydroxyanthracene-9,10-dione?
The IUPAC name of 1,2,3-trihydroxyanthracene-9,10-dione (CID 11768) is 1,2,3-trihydroxyanthracene-9,10-dione.
What is the SMILES notation for 1,2,3-trihydroxyanthracene-9,10-dione?
The canonical SMILES for 1,2,3-trihydroxyanthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c1cc(O)c(O)c2O.
What is the InChIKey of 1,2,3-trihydroxyanthracene-9,10-dione?
The InChIKey is AHKDJQYHVWSRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O5/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,15,18-19H.
What are the key properties of 1,2,3-trihydroxyanthracene-9,10-dione?
1,2,3-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 1,2,3-trihydroxyanthracene-9,10-dione is sourced from PubChem (CID 11768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).