5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde

C15H8O5 — CID 143619617

IUPAC5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde
SMILESO=Cc1ccc2c(c1)C(=O)c1cc(O)cc(O)c1C2=O
InChIInChI=1S/C15H8O5/c16-6-7-1-2-9-10(3-7)14(19)11-4-8(17)5-12(18)13(11)15(9)20/h1-6,17-18H
InChIKeyWBRBTWCFSFMVGG-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.69
Rot. Bonds1

About 5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde

5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde (PubChem CID 143619617) has the molecular formula C15H8O5 and a molecular weight of 268.22 g/mol. Its IUPAC name is 5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde.

Molecular Properties

Compound Name5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde
PubChem CID143619617
Molecular FormulaC15H8O5
Molecular Weight268.22 g/mol
Exact Mass268.04
IUPAC Name5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde
SMILESO=Cc1ccc2c(c1)C(=O)c1cc(O)cc(O)c1C2=O
InChIInChI=1S/C15H8O5/c16-6-7-1-2-9-10(3-7)14(19)11-4-8(17)5-12(18)13(11)15(9)20/h1-6,17-18H
InChIKeyWBRBTWCFSFMVGG-UHFFFAOYSA-N
XLogP1.69
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trihydroxyanthracene-9,10-dione
CID 11265324
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
7-[(1R,2S)-1,2-dihydroxypropyl]-1,3,6-trihydroxyanthracene-9,10-dione
CID 170989098
4,5-dihydroxy-7-methoxy-9,10-dioxoanthracene-2-carbaldehyde
CID 15559229
6-bromo-9-oxofluorene-2-carbaldehyde
CID 15661410
5-methoxy-9,10-dioxoanthracene-2-carbaldehyde
CID 95931045
1,3-dihydroxy-6-methoxy-7-methylanthracene-9,10-dione
CID 162876842
7-acetyl-9-oxofluorene-2-carbaldehyde
CID 145345524
7-acetyl-9-oxofluorene-2-carbaldehyde;ethane
CID 145345523
3-[(1S,2S)-1,2-dihydroxypropyl]-1,6,8-trihydroxyanthracene-9,10-dione
CID 38357215
3-[(1R,2S)-1,2-dihydroxypropyl]-1,6,8-trihydroxyanthracene-9,10-dione
CID 38357224
2-amino-5-(diaminomethylideneamino)pentanoic acid;5,7-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
CID 69302145

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde?
The IUPAC name of 5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde (CID 143619617) is 5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde.
What is the SMILES notation for 5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde?
The canonical SMILES for 5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde is O=Cc1ccc2c(c1)C(=O)c1cc(O)cc(O)c1C2=O.
What is the InChIKey of 5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde?
The InChIKey is WBRBTWCFSFMVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O5/c16-6-7-1-2-9-10(3-7)14(19)11-4-8(17)5-12(18)13(11)15(9)20/h1-6,17-18H.
What are the key properties of 5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde?
5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde has a molecular weight of 268.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde is sourced from PubChem (CID 143619617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).