1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione

C17H14O4 — CID 59981445

IUPAC1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione
SMILESCOc1cc(C)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O
InChIInChI=1S/C17H14O4/c1-8-4-11-15(13(18)5-8)17(20)14-9(2)6-10(21-3)7-12(14)16(11)19/h4-7,18H,1-3H3
InChIKeyLWGDQTZNCZKZHL-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.79
Rot. Bonds1

About 1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione

1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione (PubChem CID 59981445) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione.

Molecular Properties

Compound Name1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione
PubChem CID59981445
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione
SMILESCOc1cc(C)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O
InChIInChI=1S/C17H14O4/c1-8-4-11-15(13(18)5-8)17(20)14-9(2)6-10(21-3)7-12(14)16(11)19/h4-7,18H,1-3H3
InChIKeyLWGDQTZNCZKZHL-UHFFFAOYSA-N
XLogP2.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoethoxy)-8-hydroxy-3-methoxy-6-methylanthracene-9,10-dione
CID 71506089
3,8-dihydroxy-2,6-dimethoxy-1-methylanthracene-9,10-dione
CID 163064188
1,3,8-trimethoxy-6-methylanthracene-9,10-dione
CID 7330510
1,8-dihydroxy-3-(2-hydroxyethoxy)-6-methylanthracene-9,10-dione
CID 3592817
4,5-dihydroxy-7-methoxy-9,10-dioxoanthracene-2-carbaldehyde
CID 15559229
8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione
CID 70686001
1,8-dihydroxy-3-methyl-6-prop-2-ynoxyanthracene-9,10-dione
CID 155525964
2,3,8-trihydroxy-6-methoxy-1-(methoxymethyl)anthracene-9,10-dione
CID 91370170
3,4,8-trihydroxy-6-methoxynaphthalene-1,2-dione
CID 137321737
1,4,8-trihydroxy-6-methyl-2-(1,4,8-trihydroxy-6-methyl-9,10-dioxoanthracen-2-yl)anthracene-9,10-dione
CID 25112177
2,8-dihydroxy-1-(7-hydroxy-3-methoxy-6-methyl-9,10-dioxoanthracen-2-yl)-6-methoxy-3-methylanthracene-9,10-dione
CID 71481936
(2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one
CID 15082476

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione?
The IUPAC name of 1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione (CID 59981445) is 1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione.
What is the SMILES notation for 1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione?
The canonical SMILES for 1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione is COc1cc(C)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O.
What is the InChIKey of 1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione?
The InChIKey is LWGDQTZNCZKZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-8-4-11-15(13(18)5-8)17(20)14-9(2)6-10(21-3)7-12(14)16(11)19/h4-7,18H,1-3H3.
What are the key properties of 1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione?
1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione has a molecular weight of 282.30 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-methoxy-3,8-dimethylanthracene-9,10-dione is sourced from PubChem (CID 59981445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).