2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione

C18H16O6 — CID 163080913

IUPAC2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione
SMILESCOc1cc2c(cc1C)C(=O)c1cc(OC)c(O)c(OC)c1C2=O
InChIInChI=1S/C18H16O6/c1-8-5-9-10(6-12(8)22-2)16(20)14-11(15(9)19)7-13(23-3)17(21)18(14)24-4/h5-7,21H,1-4H3
InChIKeyZKAKLMUHNWTICH-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.50
Rot. Bonds3

About 2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione

2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione (PubChem CID 163080913) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione.

Molecular Properties

Compound Name2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione
PubChem CID163080913
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione
SMILESCOc1cc2c(cc1C)C(=O)c1cc(OC)c(O)c(OC)c1C2=O
InChIInChI=1S/C18H16O6/c1-8-5-9-10(6-12(8)22-2)16(20)14-11(15(9)19)7-13(23-3)17(21)18(14)24-4/h5-7,21H,1-4H3
InChIKeyZKAKLMUHNWTICH-UHFFFAOYSA-N
XLogP2.50
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3-dihydroxy-6-methoxy-7-methylanthracene-9,10-dione
CID 162876842
2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione
CID 122196300
6,7-dihydroxy-1-methoxy-2-methylanthracene-9,10-dione
CID 86142829
2,8-dihydroxy-1-(7-hydroxy-3-methoxy-6-methyl-9,10-dioxoanthracen-2-yl)-6-methoxy-3-methylanthracene-9,10-dione
CID 71481936
7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione
CID 156783023
(6-acetyloxy-1-hydroxy-5-methoxy-7-methyl-9,10-dioxoanthracen-2-yl) acetate
CID 100997919
7-methoxy-6-methyl-1-nitroanthracene-9,10-dione
CID 134936765
2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde
CID 11550926
5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione
CID 137276863
1,6,8-trimethoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
CID 11394165
3-ethyl-5-hydroxy-2,6,7-trimethoxynaphthalene-1,4-dione
CID 11119876
1,3,8-trihydroxy-2-methoxy-7-methylanthracene-9,10-dione
CID 25203826

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione?
The IUPAC name of 2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione (CID 163080913) is 2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione.
What is the SMILES notation for 2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione?
The canonical SMILES for 2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione is COc1cc2c(cc1C)C(=O)c1cc(OC)c(O)c(OC)c1C2=O.
What is the InChIKey of 2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione?
The InChIKey is ZKAKLMUHNWTICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-8-5-9-10(6-12(8)22-2)16(20)14-11(15(9)19)7-13(23-3)17(21)18(14)24-4/h5-7,21H,1-4H3.
What are the key properties of 2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione?
2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione has a molecular weight of 328.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione is sourced from PubChem (CID 163080913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).