(4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione

C17H16O5 — CID 928506

IUPAC(4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione
SMILESCC1(C)CC(=O)C2=C(C1)O[C@@]1(O)c3ccccc3C(=O)[C@@]21O
InChIInChI=1S/C17H16O5/c1-15(2)7-11(18)13-12(8-15)22-17(21)10-6-4-3-5-9(10)14(19)16(13,17)20/h3-6,20-21H,7-8H2,1-2H3/t16-,17-/m0/s1
InChIKeyXTAJCEXGQZCDRE-IRXDYDNUSA-N
MW300.31 g/mol
LogP1.43
Rot. Bonds

About (4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione

(4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione (PubChem CID 928506) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is (4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione.

Molecular Properties

Compound Name(4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione
PubChem CID928506
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name(4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione
SMILESCC1(C)CC(=O)C2=C(C1)O[C@@]1(O)c3ccccc3C(=O)[C@@]21O
InChIInChI=1S/C17H16O5/c1-15(2)7-11(18)13-12(8-15)22-17(21)10-6-4-3-5-9(10)14(19)16(13,17)20/h3-6,20-21H,7-8H2,1-2H3/t16-,17-/m0/s1
InChIKeyXTAJCEXGQZCDRE-IRXDYDNUSA-N
XLogP1.43
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione with MolForge

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Related Compounds

(3aS,8bR)-3a,8b-dihydroxy-2-(hydroxymethyl)-4-oxoindeno[1,2-b]furan-3-carboxylate
CID 7076726
(4R,12R,18S,26S)-4,12,15,18,26-pentahydroxy-13,17-dioxaheptacyclo[14.10.0.03,14.04,12.06,11.018,26.019,24]hexacosa-1(16),2,6,8,10,14,19,21,23-nonaene-5,25-dione
CID 139080806
6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one
CID 71488536
4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one
CID 71488537
3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione
CID 122387230
ethyl 3a,8b-dihydroxy-4-oxo-2-(trifluoromethyl)indeno[1,2-b]furan-3-carboxylate
CID 2828335
ethyl (3aS,8bR)-3a,8b-dihydroxy-4-oxo-2-(trifluoromethyl)indeno[1,2-b]furan-3-carboxylate
CID 40500350
3-hydroxy-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-1-methylindol-2-one
CID 102171347
2,2,3,3-tetrahydroxyinden-1-one
CID 141431232
3-fluoro-3-methyl-2H-inden-1-one
CID 122380797
2,2-dimethyl-3H-chromen-4-one;ethane
CID 90690524
2-(hydroxymethyl)-2-methyl-3H-chromen-4-one
CID 121218657

Frequently Asked Questions

What is the IUPAC name of (4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione?
The IUPAC name of (4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione (CID 928506) is (4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione.
What is the SMILES notation for (4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione?
The canonical SMILES for (4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione is CC1(C)CC(=O)C2=C(C1)O[C@@]1(O)c3ccccc3C(=O)[C@@]21O.
What is the InChIKey of (4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione?
The InChIKey is XTAJCEXGQZCDRE-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H16O5/c1-15(2)7-11(18)13-12(8-15)22-17(21)10-6-4-3-5-9(10)14(19)16(13,17)20/h3-6,20-21H,7-8H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione?
(4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione has a molecular weight of 300.31 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione is sourced from PubChem (CID 928506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).