(3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

C19H18O3 — CID 10402189

IUPAC(3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESO=C1C[C@H]2OC(Cc3ccccc3)[C@@H](c3ccccc3)[C@H]2O1
InChIInChI=1S/C19H18O3/c20-17-12-16-19(22-17)18(14-9-5-2-6-10-14)15(21-16)11-13-7-3-1-4-8-13/h1-10,15-16,18-19H,11-12H2/t15?,16-,18-,19+/m1/s1
InChIKeySMWTWEFIWAJOGB-MHGPCZNRSA-N
MW294.35 g/mol
LogP3.10
Rot. Bonds3

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

(3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (PubChem CID 10402189) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.

Molecular Properties

Compound Name(3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
PubChem CID10402189
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESO=C1C[C@H]2OC(Cc3ccccc3)[C@@H](c3ccccc3)[C@H]2O1
InChIInChI=1S/C19H18O3/c20-17-12-16-19(22-17)18(14-9-5-2-6-10-14)15(21-16)11-13-7-3-1-4-8-13/h1-10,15-16,18-19H,11-12H2/t15?,16-,18-,19+/m1/s1
InChIKeySMWTWEFIWAJOGB-MHGPCZNRSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The IUPAC name of (3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (CID 10402189) is (3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.
What is the SMILES notation for (3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The canonical SMILES for (3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is O=C1C[C@H]2OC(Cc3ccccc3)[C@@H](c3ccccc3)[C@H]2O1.
What is the InChIKey of (3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The InChIKey is SMWTWEFIWAJOGB-MHGPCZNRSA-N. The full InChI is InChI=1S/C19H18O3/c20-17-12-16-19(22-17)18(14-9-5-2-6-10-14)15(21-16)11-13-7-3-1-4-8-13/h1-10,15-16,18-19H,11-12H2/t15?,16-,18-,19+/m1/s1.
What are the key properties of (3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
(3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one has a molecular weight of 294.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is sourced from PubChem (CID 10402189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).