4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione

C15H16O4 — CID 163002566

IUPAC4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione
SMILESCC1=CC(=O)C2=C(C)CC(O)C3=C(C)C(=O)OC3C12
InChIInChI=1S/C15H16O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,10,12,14,17H,4H2,1-3H3
InChIKeyQMNXHFYGMWHEEN-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.45
Rot. Bonds

About 4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione

4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione (PubChem CID 163002566) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione.

Molecular Properties

Compound Name4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione
PubChem CID163002566
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione
SMILESCC1=CC(=O)C2=C(C)CC(O)C3=C(C)C(=O)OC3C12
InChIInChI=1S/C15H16O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,10,12,14,17H,4H2,1-3H3
InChIKeyQMNXHFYGMWHEEN-UHFFFAOYSA-N
XLogP1.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione with MolForge

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Related Compounds

(3aR,4S,9aR,9bR)-4-hydroxy-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
CID 162859899
[(3S,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
CID 139292029
(3aS,8aS,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-5-methyl-1-methylidene-4,8a,9,9a-tetrahydro-3aH-azuleno[6,5-b]furan-2,6-dione
CID 101122885
(3S,3aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
CID 16760094
(3S,9aR,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
CID 68649943
(3S,3aR,9aR,9bR)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
CID 124775331
[(3S,3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylbut-2-enoate
CID 162919947
[(3S,4S,9bR)-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-chloroacetate
CID 86809360
[(3S,3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2,2,2-trichloroacetate
CID 11873813
(3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) 2,2-diphenylacetate
CID 3792706
4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
CID 14138137
[(3R,3aS,4R,9aS,9bS)-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] 3-methylbutanoate
CID 933636

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione?
The IUPAC name of 4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione (CID 163002566) is 4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione.
What is the SMILES notation for 4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione?
The canonical SMILES for 4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione is CC1=CC(=O)C2=C(C)CC(O)C3=C(C)C(=O)OC3C12.
What is the InChIKey of 4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione?
The InChIKey is QMNXHFYGMWHEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,10,12,14,17H,4H2,1-3H3.
What are the key properties of 4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione?
4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione has a molecular weight of 260.29 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,6,9-trimethyl-4,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,7-dione is sourced from PubChem (CID 163002566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).