(2S,3aS,6aR)-2-phenyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

C12H12O3 — CID 10774541

IUPAC(2S,3aS,6aR)-2-phenyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESO=C1C[C@@H]2C[C@@H](c3ccccc3)O[C@@H]2O1
InChIInChI=1S/C12H12O3/c13-11-7-9-6-10(14-12(9)15-11)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10-,12+/m0/s1
InChIKeyUWOGDZZHLFZOGN-JBLDHEPKSA-N
MW204.23 g/mol
LogP2.04
Rot. Bonds1

About (2S,3aS,6aR)-2-phenyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

(2S,3aS,6aR)-2-phenyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (PubChem CID 10774541) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2S,3aS,6aR)-2-phenyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.

Molecular Properties

Compound Name(2S,3aS,6aR)-2-phenyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
PubChem CID10774541
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name(2S,3aS,6aR)-2-phenyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESO=C1C[C@@H]2C[C@@H](c3ccccc3)O[C@@H]2O1
InChIInChI=1S/C12H12O3/c13-11-7-9-6-10(14-12(9)15-11)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10-,12+/m0/s1
InChIKeyUWOGDZZHLFZOGN-JBLDHEPKSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3aS,6aR)-2-phenyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The IUPAC name of (2S,3aS,6aR)-2-phenyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (CID 10774541) is (2S,3aS,6aR)-2-phenyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.
What is the SMILES notation for (2S,3aS,6aR)-2-phenyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The canonical SMILES for (2S,3aS,6aR)-2-phenyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is O=C1C[C@@H]2C[C@@H](c3ccccc3)O[C@@H]2O1.
What is the InChIKey of (2S,3aS,6aR)-2-phenyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The InChIKey is UWOGDZZHLFZOGN-JBLDHEPKSA-N. The full InChI is InChI=1S/C12H12O3/c13-11-7-9-6-10(14-12(9)15-11)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10-,12+/m0/s1.
What are the key properties of (2S,3aS,6aR)-2-phenyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
(2S,3aS,6aR)-2-phenyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one has a molecular weight of 204.23 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,6aR)-2-phenyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is sourced from PubChem (CID 10774541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).