8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane

C24H26O7 — CID 145293696

IUPAC8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane
SMILESCCOC.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(C(C)=O)CC3
InChIInChI=1S/C21H18O6.C3H8O/c1-9(22)10-6-7-11-13(8-10)20(25)16-17(18(11)23)21(26)15-12(19(16)24)4-3-5-14(15)27-2;1-3-4-2/h3-5,10,23,25H,6-8H2,1-2H3;3H2,1-2H3
InChIKeyYRAKUFICOYPYRT-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.23
Rot. Bonds3

About 8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane

8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane (PubChem CID 145293696) has the molecular formula C24H26O7 and a molecular weight of 426.47 g/mol. Its IUPAC name is 8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane.

Molecular Properties

Compound Name8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane
PubChem CID145293696
Molecular FormulaC24H26O7
Molecular Weight426.47 g/mol
Exact Mass426.17
IUPAC Name8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane
SMILESCCOC.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(C(C)=O)CC3
InChIInChI=1S/C21H18O6.C3H8O/c1-9(22)10-6-7-11-13(8-10)20(25)16-17(18(11)23)21(26)15-12(19(16)24)4-3-5-14(15)27-2;1-3-4-2/h3-5,10,23,25H,6-8H2,1-2H3;3H2,1-2H3
InChIKeyYRAKUFICOYPYRT-UHFFFAOYSA-N
XLogP3.23
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

acetylene;(8S)-6,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 142985248
8-acetyl-1,6,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 23349623
11-amino-6-hydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 170275001
(2S)-5,12-dihydroxy-7-methoxy-6,11-dioxo-N-(2-sulfanylethyl)-1,2,3,4-tetrahydrotetracene-2-carboxamide
CID 145041168
6,11-dihydroxy-8-(2-hydroxyethanimidoyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 144566328
N-(3-aminocyclobutyl)-5,12-dihydroxy-7-methoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracene-2-carboxamide
CID 171538508
6,11-dihydroxy-1-methoxy-8-(piperazine-1-carbonyl)-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 171538463
(8S)-6,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;(6S)-6-methyloxane-2,5-diol
CID 145305319
(9S)-12-cyclobutylidene-6,11-dihydroxy-9-(2-hydroxyacetyl)-4-methoxy-7,8,9,10-tetrahydrotetracen-5-one
CID 142144213
(8S)-8-acetyl-6,11-dihydroxy-1-(methylamino)-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 138614697
(8S)-8-acetyl-11-hydroxy-6-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 142963306
N-(2-amino-3,3,3-trifluoropropyl)-5,12-dihydroxy-7-methoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracene-2-carboxamide
CID 171538472

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane?
The IUPAC name of 8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane (CID 145293696) is 8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane.
What is the SMILES notation for 8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane?
The canonical SMILES for 8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane is CCOC.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(C(C)=O)CC3.
What is the InChIKey of 8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane?
The InChIKey is YRAKUFICOYPYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O6.C3H8O/c1-9(22)10-6-7-11-13(8-10)20(25)16-17(18(11)23)21(26)15-12(19(16)24)4-3-5-14(15)27-2;1-3-4-2/h3-5,10,23,25H,6-8H2,1-2H3;3H2,1-2H3.
What are the key properties of 8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane?
8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane has a molecular weight of 426.47 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;methoxyethane is sourced from PubChem (CID 145293696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).