1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione

C17H14O6 — CID 3592817

IUPAC1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione
SMILESCc1cc(O)c2c(c1)C(=O)c1cc(OCCO)cc(O)c1C2=O
InChIInChI=1S/C17H14O6/c1-8-4-10-14(12(19)5-8)17(22)15-11(16(10)21)6-9(7-13(15)20)23-3-2-18/h4-7,18-20H,2-3H2,1H3
InChIKeyZEJZVKNNXVWCRQ-UHFFFAOYSA-N
MW314.29 g/mol
LogP1.55
Rot. Bonds3

About 1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione

1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione (PubChem CID 3592817) has the molecular formula C17H14O6 and a molecular weight of 314.29 g/mol. Its IUPAC name is 1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione.

Molecular Properties

Compound Name1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione
PubChem CID3592817
Molecular FormulaC17H14O6
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione
SMILESCc1cc(O)c2c(c1)C(=O)c1cc(OCCO)cc(O)c1C2=O
InChIInChI=1S/C17H14O6/c1-8-4-10-14(12(19)5-8)17(22)15-11(16(10)21)6-9(7-13(15)20)23-3-2-18/h4-7,18-20H,2-3H2,1H3
InChIKeyZEJZVKNNXVWCRQ-UHFFFAOYSA-N
XLogP1.55
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,8-dihydroxy-3-(2-hydroxyethoxy)-6-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

1,8-dihydroxy-3-methyl-6-prop-2-ynoxyanthracene-9,10-dione
CID 155525964
1,8-dihydroxy-3-(4-hydroxy-3-methylbut-2-enoxy)-6-methylanthracene-9,10-dione
CID 85266731
1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione
CID 59981445
1-(2-bromoethoxy)-8-hydroxy-3-methoxy-6-methylanthracene-9,10-dione
CID 71506089
3-[(6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-1,8-dihydroxy-6-methylanthracene-9,10-dione
CID 162889151
1,8-dihydroxy-3-methyl-6-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanthracene-9,10-dione
CID 162938393
2-(8-hydroxy-6-methoxy-3-methyl-9,10-dioxoanthracen-1-yl)oxyethyl-methyl-dioctylazanium
CID 71506468
1,4,8-trihydroxy-6-methyl-2-(1,4,8-trihydroxy-6-methyl-9,10-dioxoanthracen-2-yl)anthracene-9,10-dione
CID 25112177
3-butoxy-8-hydroxy-1-methylanthracene-9,10-dione
CID 167231252
2-amino-1,3,8-trihydroxy-6-methylanthracene-9,10-dione
CID 25235988
1,6-dihydroxy-3-methyl-8-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
CID 163057707
1-hydroxy-3-[3-(2-methylpropylamino)propoxy]anthracene-9,10-dione
CID 91110312

Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione?
The IUPAC name of 1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione (CID 3592817) is 1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione.
What is the SMILES notation for 1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione?
The canonical SMILES for 1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione is Cc1cc(O)c2c(c1)C(=O)c1cc(OCCO)cc(O)c1C2=O.
What is the InChIKey of 1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione?
The InChIKey is ZEJZVKNNXVWCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O6/c1-8-4-10-14(12(19)5-8)17(22)15-11(16(10)21)6-9(7-13(15)20)23-3-2-18/h4-7,18-20H,2-3H2,1H3.
What are the key properties of 1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione?
1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione has a molecular weight of 314.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione is sourced from PubChem (CID 3592817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).