6,8,10,11-tetrahydroxy-1-methoxy-12-methylidene-7,8,9,10-tetrahydrotetracen-5-one

C20H18O6 — CID 174344250

IUPAC6,8,10,11-tetrahydroxy-1-methoxy-12-methylidene-7,8,9,10-tetrahydrotetracen-5-one
SMILESC=C1c2c(OC)cccc2C(=O)c2c(O)c3c(c(O)c21)C(O)CC(O)C3
InChIInChI=1S/C20H18O6/c1-8-14-10(4-3-5-13(14)26-2)18(23)17-15(8)20(25)16-11(19(17)24)6-9(21)7-12(16)22/h3-5,9,12,21-22,24-25H,1,6-7H2,2H3
InChIKeyAUUNEIXKHAMPEV-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.05
Rot. Bonds1

About 6,8,10,11-tetrahydroxy-1-methoxy-12-methylidene-7,8,9,10-tetrahydrotetracen-5-one

6,8,10,11-tetrahydroxy-1-methoxy-12-methylidene-7,8,9,10-tetrahydrotetracen-5-one (PubChem CID 174344250) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is 6,8,10,11-tetrahydroxy-1-methoxy-12-methylidene-7,8,9,10-tetrahydrotetracen-5-one.

Molecular Properties

Compound Name6,8,10,11-tetrahydroxy-1-methoxy-12-methylidene-7,8,9,10-tetrahydrotetracen-5-one
PubChem CID174344250
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Name6,8,10,11-tetrahydroxy-1-methoxy-12-methylidene-7,8,9,10-tetrahydrotetracen-5-one
SMILESC=C1c2c(OC)cccc2C(=O)c2c(O)c3c(c(O)c21)C(O)CC(O)C3
InChIInChI=1S/C20H18O6/c1-8-14-10(4-3-5-13(14)26-2)18(23)17-15(8)20(25)16-11(19(17)24)6-9(21)7-12(16)22/h3-5,9,12,21-22,24-25H,1,6-7H2,2H3
InChIKeyAUUNEIXKHAMPEV-UHFFFAOYSA-N
XLogP2.05
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(8R)-6,10,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 139363909
(9S)-6,7,9,11-tetrahydroxy-4-methoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione
CID 142369617
(8R)-8-(2-bromoacetyl)-6,8,11-trihydroxy-1-methoxy-12-methylidene-9,10-dihydro-7H-tetracen-5-one
CID 142048078
4'-(aminooxymethyl)-6,7,11-trihydroxy-4-methoxyspiro[8,10-dihydro-7H-tetracene-9,3'-dioxetane]-5,12-dione
CID 171065001
9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;molecular iodine
CID 157425518
dipotassium;(7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;carbonate
CID 70637043
6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane
CID 123863601
(7S,9S)-9-ethynyl-6,11-dihydroxy-9-(2-hydroxyacetyl)-4-methoxy-7-methyl-8,10-dihydro-7H-tetracene-5,12-dione
CID 143845208
(7R,9R)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(1R,3S,4R)-4-hydroxy-3-methylcyclohexyl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 70372615
(8-formyl-6,10,11-trihydroxy-5,12-dioxo-7,8,9,10-tetrahydrotetracen-1-yl) trifluoromethanesulfonate
CID 143192885
acetylene;(8S)-6,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 142985248
N-cyclopentylformamide;(9R)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane;6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
CID 171538505

Frequently Asked Questions

What is the IUPAC name of 6,8,10,11-tetrahydroxy-1-methoxy-12-methylidene-7,8,9,10-tetrahydrotetracen-5-one?
The IUPAC name of 6,8,10,11-tetrahydroxy-1-methoxy-12-methylidene-7,8,9,10-tetrahydrotetracen-5-one (CID 174344250) is 6,8,10,11-tetrahydroxy-1-methoxy-12-methylidene-7,8,9,10-tetrahydrotetracen-5-one.
What is the SMILES notation for 6,8,10,11-tetrahydroxy-1-methoxy-12-methylidene-7,8,9,10-tetrahydrotetracen-5-one?
The canonical SMILES for 6,8,10,11-tetrahydroxy-1-methoxy-12-methylidene-7,8,9,10-tetrahydrotetracen-5-one is C=C1c2c(OC)cccc2C(=O)c2c(O)c3c(c(O)c21)C(O)CC(O)C3.
What is the InChIKey of 6,8,10,11-tetrahydroxy-1-methoxy-12-methylidene-7,8,9,10-tetrahydrotetracen-5-one?
The InChIKey is AUUNEIXKHAMPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O6/c1-8-14-10(4-3-5-13(14)26-2)18(23)17-15(8)20(25)16-11(19(17)24)6-9(21)7-12(16)22/h3-5,9,12,21-22,24-25H,1,6-7H2,2H3.
What are the key properties of 6,8,10,11-tetrahydroxy-1-methoxy-12-methylidene-7,8,9,10-tetrahydrotetracen-5-one?
6,8,10,11-tetrahydroxy-1-methoxy-12-methylidene-7,8,9,10-tetrahydrotetracen-5-one has a molecular weight of 354.36 g/mol, XLogP of 2.05, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,10,11-tetrahydroxy-1-methoxy-12-methylidene-7,8,9,10-tetrahydrotetracen-5-one is sourced from PubChem (CID 174344250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).