methyl 4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylate

C16H12O5 — CID 10493279

IUPACmethyl 4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2c(c1)Cc1cccc(O)c1C2=O
InChIInChI=1S/C16H12O5/c1-21-16(20)10-6-9-5-8-3-2-4-11(17)13(8)15(19)14(9)12(18)7-10/h2-4,6-7,17-18H,5H2,1H3
InChIKeyVTHVBLVARLLTDT-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.02
Rot. Bonds1

About methyl 4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylate

methyl 4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylate (PubChem CID 10493279) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is methyl 4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylate
PubChem CID10493279
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Namemethyl 4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2c(c1)Cc1cccc(O)c1C2=O
InChIInChI=1S/C16H12O5/c1-21-16(20)10-6-9-5-8-3-2-4-11(17)13(8)15(19)14(9)12(18)7-10/h2-4,6-7,17-18H,5H2,1H3
InChIKeyVTHVBLVARLLTDT-UHFFFAOYSA-N
XLogP2.02
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Diacerein
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Physcion
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Quinizarin
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5,6-Dimethylxanthenone-4-Acetic Acid
CID 123964
Aloe emodin
CID 10207
1-Hydroxyanthraquinone
CID 8512
Thymolphthalein
CID 31316

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylate?
The IUPAC name of methyl 4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylate (CID 10493279) is methyl 4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylate.
What is the SMILES notation for methyl 4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylate?
The canonical SMILES for methyl 4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylate is COC(=O)c1cc(O)c2c(c1)Cc1cccc(O)c1C2=O.
What is the InChIKey of methyl 4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylate?
The InChIKey is VTHVBLVARLLTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-21-16(20)10-6-9-5-8-3-2-4-11(17)13(8)15(19)14(9)12(18)7-10/h2-4,6-7,17-18H,5H2,1H3.
What are the key properties of methyl 4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylate?
methyl 4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylate has a molecular weight of 284.27 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylate is sourced from PubChem (CID 10493279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).