(3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione

C13H12O6 — CID 71593227

IUPAC(3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione
SMILESCOc1cc(O)c2c(c1)C1OC(=O)C[C@]1(C)OC2=O
InChIInChI=1S/C13H12O6/c1-13-5-9(15)18-11(13)7-3-6(17-2)4-8(14)10(7)12(16)19-13/h3-4,11,14H,5H2,1-2H3/t11?,13-/m0/s1
InChIKeyPLIBTGHSLMVVKU-YUZLPWPTSA-N
MW264.23 g/mol
LogP1.32
Rot. Bonds1

About (3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione

(3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione (PubChem CID 71593227) has the molecular formula C13H12O6 and a molecular weight of 264.23 g/mol. Its IUPAC name is (3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione.

Molecular Properties

Compound Name(3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione
PubChem CID71593227
Molecular FormulaC13H12O6
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name(3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione
SMILESCOc1cc(O)c2c(c1)C1OC(=O)C[C@]1(C)OC2=O
InChIInChI=1S/C13H12O6/c1-13-5-9(15)18-11(13)7-3-6(17-2)4-8(14)10(7)12(16)19-13/h3-4,11,14H,5H2,1-2H3/t11?,13-/m0/s1
InChIKeyPLIBTGHSLMVVKU-YUZLPWPTSA-N
XLogP1.32
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione with MolForge

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Related Compounds

(3S,4S)-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
CID 93061334
2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one
CID 10108140
(1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one
CID 156581085
(3S,4S)-3,4,8-trihydroxy-6-methoxy-3-(2-oxopropyl)-2,4-dihydronaphthalen-1-one
CID 25225507
10-(4,5-dihydroxy-2-methoxy-10-oxo-9H-anthracen-9-yl)-1,8-dihydroxy-3-methoxy-10H-anthracen-9-one
CID 162871582
(3aR,9bS)-3a-iodo-7-methoxy-4,4-dimethyl-3,9b-dihydrofuro[3,2-c]chromen-2-one
CID 11485611
methyl (2R,4R,6S,7R,8Z,11S)-6,7,15-trihydroxy-17-methoxy-11-methyl-13-oxo-3,12-dioxatricyclo[12.4.0.02,4]octadeca-1(14),8,15,17-tetraene-7-carboxylate
CID 163185620
methyl (2R,4R,6S,8E,11S)-6,7,15-trihydroxy-17-methoxy-11-methyl-13-oxo-3,12-dioxatricyclo[12.4.0.02,4]octadeca-1(14),8,15,17-tetraene-7-carboxylate
CID 101464742
(2R,4R,6S,10S,12E,15S)-19-hydroxy-21-methoxy-8,8,15-trimethyl-3,7,9,16-tetraoxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione
CID 11122608
(6aR,12aR)-8-hydroxy-2,3,10-trimethoxy-6a,12a-dihydro-5H-isochromeno[4,3-b]chromen-7-one
CID 162925371
4-hydroxy-2,9,10-trimethoxy-6a,9,10-trimethyl-7a,11a-dihydro-7H-isochromeno[4,3-g][1,4]benzodioxin-5-one
CID 72999545
(6S,7S,9Z,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
CID 59466773

Frequently Asked Questions

What is the IUPAC name of (3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione?
The IUPAC name of (3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione (CID 71593227) is (3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione.
What is the SMILES notation for (3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione?
The canonical SMILES for (3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione is COc1cc(O)c2c(c1)C1OC(=O)C[C@]1(C)OC2=O.
What is the InChIKey of (3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione?
The InChIKey is PLIBTGHSLMVVKU-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H12O6/c1-13-5-9(15)18-11(13)7-3-6(17-2)4-8(14)10(7)12(16)19-13/h3-4,11,14H,5H2,1-2H3/t11?,13-/m0/s1.
What are the key properties of (3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione?
(3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione has a molecular weight of 264.23 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrofuro[3,2-c]isochromene-2,5-dione is sourced from PubChem (CID 71593227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).