(3aS,6aR)-6a-phenyl-3,3a,4,6-tetrahydrofuro[3,4-b]furan-2-one

C12H12O3 — CID 138973285

IUPAC(3aS,6aR)-6a-phenyl-3,3a,4,6-tetrahydrofuro[3,4-b]furan-2-one
SMILESO=C1C[C@H]2COC[C@@]2(c2ccccc2)O1
InChIInChI=1S/C12H12O3/c13-11-6-10-7-14-8-12(10,15-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-,12-/m0/s1
InChIKeyOCWARKFHOAVFDE-JQWIXIFHSA-N
MW204.23 g/mol
LogP1.48
Rot. Bonds1

About (3aS,6aR)-6a-phenyl-3,3a,4,6-tetrahydrofuro[3,4-b]furan-2-one

(3aS,6aR)-6a-phenyl-3,3a,4,6-tetrahydrofuro[3,4-b]furan-2-one (PubChem CID 138973285) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is (3aS,6aR)-6a-phenyl-3,3a,4,6-tetrahydrofuro[3,4-b]furan-2-one.

Molecular Properties

Compound Name(3aS,6aR)-6a-phenyl-3,3a,4,6-tetrahydrofuro[3,4-b]furan-2-one
PubChem CID138973285
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name(3aS,6aR)-6a-phenyl-3,3a,4,6-tetrahydrofuro[3,4-b]furan-2-one
SMILESO=C1C[C@H]2COC[C@@]2(c2ccccc2)O1
InChIInChI=1S/C12H12O3/c13-11-6-10-7-14-8-12(10,15-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-,12-/m0/s1
InChIKeyOCWARKFHOAVFDE-JQWIXIFHSA-N
XLogP1.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,4S,5S,7S)-4-phenyl-3,6,10-trioxatricyclo[5.3.0.02,5]decan-9-one
CID 25032962
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CID 72191682
3,6-Anhydro-2-deoxy-7-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone
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(2S,3S,3aR,6aR)-3-hydroxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 155537138
3,3,6,6-Tetramethyl-3a-p-tolyl-tetrahydro-furo[3,2-b]furan-2,5-dione
CID 2914114
5-(Hydroxymethyl)-3-methylidene-5-phenyloxolan-2-one
CID 146755970
5-Methyl-5-phenyloxolan-2-one
CID 88864
Acetic acid (2R,3R,4R,5R,6R)-3-acetoxy-5,6-diethoxy-8-oxo-2-phenyl-oxocan-4-yl ester
CID 10454124
3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone
CID 139189248
3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-L-glycero-D-ido-heptono-1,4-lactone
CID 139189249
3a-(4-Fluorophenyl)-3,3,6,6-tetramethyltetrahydrofuro[3,2-b]furan-2,5-dione
CID 3784743
[(2R,3R,3aR,6aR)-5-oxo-3-phenylmethoxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate
CID 11033650

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-6a-phenyl-3,3a,4,6-tetrahydrofuro[3,4-b]furan-2-one?
The IUPAC name of (3aS,6aR)-6a-phenyl-3,3a,4,6-tetrahydrofuro[3,4-b]furan-2-one (CID 138973285) is (3aS,6aR)-6a-phenyl-3,3a,4,6-tetrahydrofuro[3,4-b]furan-2-one.
What is the SMILES notation for (3aS,6aR)-6a-phenyl-3,3a,4,6-tetrahydrofuro[3,4-b]furan-2-one?
The canonical SMILES for (3aS,6aR)-6a-phenyl-3,3a,4,6-tetrahydrofuro[3,4-b]furan-2-one is O=C1C[C@H]2COC[C@@]2(c2ccccc2)O1.
What is the InChIKey of (3aS,6aR)-6a-phenyl-3,3a,4,6-tetrahydrofuro[3,4-b]furan-2-one?
The InChIKey is OCWARKFHOAVFDE-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H12O3/c13-11-6-10-7-14-8-12(10,15-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-,12-/m0/s1.
What are the key properties of (3aS,6aR)-6a-phenyl-3,3a,4,6-tetrahydrofuro[3,4-b]furan-2-one?
(3aS,6aR)-6a-phenyl-3,3a,4,6-tetrahydrofuro[3,4-b]furan-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-6a-phenyl-3,3a,4,6-tetrahydrofuro[3,4-b]furan-2-one is sourced from PubChem (CID 138973285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).