2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid

C16H10O6 — CID 20527657

IUPAC2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid
SMILESO=C(O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H10O6/c17-12(18)7-22-11-6-5-10-13(16(11)21)15(20)9-4-2-1-3-8(9)14(10)19/h1-6,21H,7H2,(H,17,18)
InChIKeyOXFSUVSJHAHJTN-UHFFFAOYSA-N
MW298.25 g/mol
LogP1.63
Rot. Bonds3

About 2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid

2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid (PubChem CID 20527657) has the molecular formula C16H10O6 and a molecular weight of 298.25 g/mol. Its IUPAC name is 2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid
PubChem CID20527657
Molecular FormulaC16H10O6
Molecular Weight298.25 g/mol
Exact Mass298.05
IUPAC Name2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid
SMILESO=C(O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H10O6/c17-12(18)7-22-11-6-5-10-13(16(11)21)15(20)9-4-2-1-3-8(9)14(10)19/h1-6,21H,7H2,(H,17,18)
InChIKeyOXFSUVSJHAHJTN-UHFFFAOYSA-N
XLogP1.63
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
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-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione
CID 71598400
2-[2-(4-bromophenyl)-2-oxoethoxy]-1-hydroxyanthracene-9,10-dione
CID 71598368
(1-hydroxy-9,10-dioxoanthracen-2-yl) hydrogen sulfate
CID 22134392
9,10-dioxo-2-phenylmethoxyanthracene-1-carboxylic acid
CID 150017860
2-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxy-9,10-dioxoanthracen-2-yl]oxyacetic acid
CID 164971915
1,2-dihydroxyanthracene-9,10-dione;tetrahydrochloride
CID 159491236
2-[4-hydroxy-1-(3-methylbutyl)-9,10-dioxoanthracen-2-yl]oxyacetic acid
CID 134972253
2-(4-amino-9,10-dioxo-3-phenoxyanthracen-1-yl)oxyacetic acid
CID 89163460
2-[2-[(1,3-dioxoinden-2-ylidene)methyl]phenoxy]acetic acid
CID 706218
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
(1-hydroxy-9,10-dioxoanthracen-2-yl) 3,4-dichlorobenzoate
CID 71597638
1,2-dihydroxyanthracene-9,10-dione;ethanol
CID 68974663

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid?
The IUPAC name of 2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid (CID 20527657) is 2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid?
The canonical SMILES for 2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid is O=C(O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid?
The InChIKey is OXFSUVSJHAHJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O6/c17-12(18)7-22-11-6-5-10-13(16(11)21)15(20)9-4-2-1-3-8(9)14(10)19/h1-6,21H,7H2,(H,17,18).
What are the key properties of 2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid?
2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid has a molecular weight of 298.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid is sourced from PubChem (CID 20527657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).