2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione

C17H14O4 — CID 22833213

IUPAC2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione
SMILESCCc1c(C)cc2c(c1O)C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C17H14O4/c1-3-9-8(2)7-11-14(16(9)20)17(21)13-10(15(11)19)5-4-6-12(13)18/h4-7,18,20H,3H2,1-2H3
InChIKeyWAOQXIBRHPXACZ-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.74
Rot. Bonds1

About 2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione

2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione (PubChem CID 22833213) has the molecular formula C17H14O4 and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione.

Molecular Properties

Compound Name2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione
PubChem CID22833213
Molecular FormulaC17H14O4
Molecular Weight282.29 g/mol
Exact Mass282.09
IUPAC Name2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione
SMILESCCc1c(C)cc2c(c1O)C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C17H14O4/c1-3-9-8(2)7-11-14(16(9)20)17(21)13-10(15(11)19)5-4-6-12(13)18/h4-7,18,20H,3H2,1-2H3
InChIKeyWAOQXIBRHPXACZ-UHFFFAOYSA-N
XLogP2.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-7-(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)-1,3,8-trihydroxy-6-methylanthracene-9,10-dione
CID 90871622
1,8-dihydroxy-3-(2-hydroxyethylamino)-2-methylanthracene-9,10-dione
CID 70354783
1,4,5-trihydroxy-2-methylanthracene-9,10-dione
CID 10151
10-hydroxy-4-methyl-2-propylnaphtho[2,3-g][1]benzofuran-6,11-dione
CID 122183453
3-butoxy-8-hydroxy-1-methylanthracene-9,10-dione
CID 167231252
1-hydroxy-5-methylanthracene-9,10-dione
CID 10490094
1,3,4,5-tetrahydroxy-2-methylanthracene-9,10-dione
CID 71325692
2-ethyl-3-methyl-1-phenylanthracene-9,10-dione
CID 139627277
3,8-dihydroxy-9,10-dioxo-1-(213C)propylanthracene-2-carboxylic acid
CID 10735496
1,8-dihydroxy-3-methyl-2-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
CID 59121626
1,8-dihydroxy-3-[(4-methylpyridin-1-ium-1-yl)methyl]anthracene-9,10-dione bromide
CID 71617639
2-[(dimethylamino)methyl]-1,8-dihydroxyanthracene-9,10-dione
CID 20527645

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione?
The IUPAC name of 2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione (CID 22833213) is 2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione.
What is the SMILES notation for 2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione?
The canonical SMILES for 2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione is CCc1c(C)cc2c(c1O)C(=O)c1c(O)cccc1C2=O.
What is the InChIKey of 2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione?
The InChIKey is WAOQXIBRHPXACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-3-9-8(2)7-11-14(16(9)20)17(21)13-10(15(11)19)5-4-6-12(13)18/h4-7,18,20H,3H2,1-2H3.
What are the key properties of 2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione?
2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione has a molecular weight of 282.29 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione is sourced from PubChem (CID 22833213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).