4,5-dihydroxy-9-methylidene-10-oxoanthracene-2-carboxylic acid

C16H10O5 — CID 89319267

IUPAC4,5-dihydroxy-9-methylidene-10-oxoanthracene-2-carboxylic acid
SMILESC=C1c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O)cc21
InChIInChI=1S/C16H10O5/c1-7-9-3-2-4-11(17)13(9)15(19)14-10(7)5-8(16(20)21)6-12(14)18/h2-6,17-18H,1H2,(H,20,21)
InChIKeyIICKRFVCOZDOCQ-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.40
Rot. Bonds1

About 4,5-dihydroxy-9-methylidene-10-oxoanthracene-2-carboxylic acid

4,5-dihydroxy-9-methylidene-10-oxoanthracene-2-carboxylic acid (PubChem CID 89319267) has the molecular formula C16H10O5 and a molecular weight of 282.25 g/mol. Its IUPAC name is 4,5-dihydroxy-9-methylidene-10-oxoanthracene-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dihydroxy-9-methylidene-10-oxoanthracene-2-carboxylic acid
PubChem CID89319267
Molecular FormulaC16H10O5
Molecular Weight282.25 g/mol
Exact Mass282.05
IUPAC Name4,5-dihydroxy-9-methylidene-10-oxoanthracene-2-carboxylic acid
SMILESC=C1c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O)cc21
InChIInChI=1S/C16H10O5/c1-7-9-3-2-4-11(17)13(9)15(19)14-10(7)5-8(16(20)21)6-12(14)18/h2-6,17-18H,1H2,(H,20,21)
InChIKeyIICKRFVCOZDOCQ-UHFFFAOYSA-N
XLogP2.40
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
CID 159899695
magnesium 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
CID 42646237
(2S)-2-amino-3-methylbutanoic acid;4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
CID 89497215
4,5-dihydroxy-9,10-dioxoanthracene-2-carboxamide
CID 54404292
potassium 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylate
CID 42646236
5-hydroxy-9,10-dioxo-4-pent-4-enoxyanthracene-2-carboxylic acid
CID 170644964
3,5-dihydroxy-4-phenylbenzoic acid
CID 45116831
4-ethoxycarbonyl-8-hydroxy-9,10-dioxoanthracene-2-carboxylic acid
CID 54597552
CID 131844693
CID 131844693
(3S,4S,5S,6S)-6-(6-carboxy-8-hydroxy-9,10-dioxoanthracen-1-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 46782877
4-bromoaniline;N-(4-bromophenyl)-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxamide;4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid;molecular iodine;triiodide;hydroiodide
CID 160683144
1,3,5-trihydroxyanthracene-9,10-dione
CID 11265324

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-9-methylidene-10-oxoanthracene-2-carboxylic acid?
The IUPAC name of 4,5-dihydroxy-9-methylidene-10-oxoanthracene-2-carboxylic acid (CID 89319267) is 4,5-dihydroxy-9-methylidene-10-oxoanthracene-2-carboxylic acid.
What is the SMILES notation for 4,5-dihydroxy-9-methylidene-10-oxoanthracene-2-carboxylic acid?
The canonical SMILES for 4,5-dihydroxy-9-methylidene-10-oxoanthracene-2-carboxylic acid is C=C1c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O)cc21.
What is the InChIKey of 4,5-dihydroxy-9-methylidene-10-oxoanthracene-2-carboxylic acid?
The InChIKey is IICKRFVCOZDOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O5/c1-7-9-3-2-4-11(17)13(9)15(19)14-10(7)5-8(16(20)21)6-12(14)18/h2-6,17-18H,1H2,(H,20,21).
What are the key properties of 4,5-dihydroxy-9-methylidene-10-oxoanthracene-2-carboxylic acid?
4,5-dihydroxy-9-methylidene-10-oxoanthracene-2-carboxylic acid has a molecular weight of 282.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-9-methylidene-10-oxoanthracene-2-carboxylic acid is sourced from PubChem (CID 89319267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).