3-ethyl-1-hydroxy-6,8-dimethoxy-9-oxo-10H-anthracene-2-carboxylic acid

C19H18O6 — CID 10980786

IUPAC3-ethyl-1-hydroxy-6,8-dimethoxy-9-oxo-10H-anthracene-2-carboxylic acid
SMILESCCc1cc2c(c(O)c1C(=O)O)C(=O)c1c(cc(OC)cc1OC)C2
InChIInChI=1S/C19H18O6/c1-4-9-5-10-6-11-7-12(24-2)8-13(25-3)14(11)17(20)15(10)18(21)16(9)19(22)23/h5,7-8,21H,4,6H2,1-3H3,(H,22,23)
InChIKeyDNRLXGUJHWGYPZ-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.81
Rot. Bonds4

About 3-ethyl-1-hydroxy-6,8-dimethoxy-9-oxo-10H-anthracene-2-carboxylic acid

3-ethyl-1-hydroxy-6,8-dimethoxy-9-oxo-10H-anthracene-2-carboxylic acid (PubChem CID 10980786) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-ethyl-1-hydroxy-6,8-dimethoxy-9-oxo-10H-anthracene-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-hydroxy-6,8-dimethoxy-9-oxo-10H-anthracene-2-carboxylic acid
PubChem CID10980786
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name3-ethyl-1-hydroxy-6,8-dimethoxy-9-oxo-10H-anthracene-2-carboxylic acid
SMILESCCc1cc2c(c(O)c1C(=O)O)C(=O)c1c(cc(OC)cc1OC)C2
InChIInChI=1S/C19H18O6/c1-4-9-5-10-6-11-7-12(24-2)8-13(25-3)14(11)17(20)15(10)18(21)16(9)19(22)23/h5,7-8,21H,4,6H2,1-3H3,(H,22,23)
InChIKeyDNRLXGUJHWGYPZ-UHFFFAOYSA-N
XLogP2.81
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hydroxy-6,8-dimethoxy-9-oxo-10H-anthracene-2-carboxylic acid?
The IUPAC name of 3-ethyl-1-hydroxy-6,8-dimethoxy-9-oxo-10H-anthracene-2-carboxylic acid (CID 10980786) is 3-ethyl-1-hydroxy-6,8-dimethoxy-9-oxo-10H-anthracene-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-hydroxy-6,8-dimethoxy-9-oxo-10H-anthracene-2-carboxylic acid?
The canonical SMILES for 3-ethyl-1-hydroxy-6,8-dimethoxy-9-oxo-10H-anthracene-2-carboxylic acid is CCc1cc2c(c(O)c1C(=O)O)C(=O)c1c(cc(OC)cc1OC)C2.
What is the InChIKey of 3-ethyl-1-hydroxy-6,8-dimethoxy-9-oxo-10H-anthracene-2-carboxylic acid?
The InChIKey is DNRLXGUJHWGYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-4-9-5-10-6-11-7-12(24-2)8-13(25-3)14(11)17(20)15(10)18(21)16(9)19(22)23/h5,7-8,21H,4,6H2,1-3H3,(H,22,23).
What are the key properties of 3-ethyl-1-hydroxy-6,8-dimethoxy-9-oxo-10H-anthracene-2-carboxylic acid?
3-ethyl-1-hydroxy-6,8-dimethoxy-9-oxo-10H-anthracene-2-carboxylic acid has a molecular weight of 342.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hydroxy-6,8-dimethoxy-9-oxo-10H-anthracene-2-carboxylic acid is sourced from PubChem (CID 10980786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).