(6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one

C13H12O3 — CID 102588532

IUPAC(6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one
SMILESC[C@@H]1OCC2=C(c3ccccc3)C(=O)O[C@H]21
InChIInChI=1S/C13H12O3/c1-8-12-10(7-15-8)11(13(14)16-12)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3/t8-,12-/m0/s1
InChIKeyFKITUVFJKJEYIZ-UFBFGSQYSA-N
MW216.24 g/mol
LogP1.78
Rot. Bonds1

About (6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one

(6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one (PubChem CID 102588532) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is (6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one.

Molecular Properties

Compound Name(6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one
PubChem CID102588532
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name(6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one
SMILESC[C@@H]1OCC2=C(c3ccccc3)C(=O)O[C@H]21
InChIInChI=1S/C13H12O3/c1-8-12-10(7-15-8)11(13(14)16-12)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3/t8-,12-/m0/s1
InChIKeyFKITUVFJKJEYIZ-UFBFGSQYSA-N
XLogP1.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one with MolForge

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Related Compounds

3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one
CID 86097455
(7S,7aR)-4,5,7-trimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one
CID 11391256
(7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one
CID 11277585
1,1'-biphenyl;2-methyloxirane
CID 87315109
3-methyl-4-phenyl-2H-furan-5-one
CID 576159
4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one
CID 10923402
2-methoxy-3,4-diphenyl-2H-furan-5-one
CID 12691708
4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one
CID 13439272
(9aR)-3,9-diphenyl-4,5,6,7,8,9a-hexahydrofuro[2,3-b]azocin-2-one
CID 134960657
ethane;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 91380826
(4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
CID 70037236
(2R)-3-[hydroxy(phenyl)methyl]-2-methoxy-4-phenyl-2H-furan-5-one
CID 11680925

Frequently Asked Questions

What is the IUPAC name of (6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one?
The IUPAC name of (6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one (CID 102588532) is (6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one.
What is the SMILES notation for (6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one?
The canonical SMILES for (6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one is C[C@@H]1OCC2=C(c3ccccc3)C(=O)O[C@H]21.
What is the InChIKey of (6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one?
The InChIKey is FKITUVFJKJEYIZ-UFBFGSQYSA-N. The full InChI is InChI=1S/C13H12O3/c1-8-12-10(7-15-8)11(13(14)16-12)9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3/t8-,12-/m0/s1.
What are the key properties of (6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one?
(6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one is sourced from PubChem (CID 102588532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).