(2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan

C25H24O2 — CID 23238357

IUPAC(2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
SMILESCC12C[C@@H](c3ccccc3)OC1(c1ccccc1)O[C@@H](c1ccccc1)C2
InChIInChI=1S/C25H24O2/c1-24-17-22(19-11-5-2-6-12-19)26-25(24,21-15-9-4-10-16-21)27-23(18-24)20-13-7-3-8-14-20/h2-16,22-23H,17-18H2,1H3/t22-,23+,24?,25?
InChIKeyQKRSNGGOCNTJBN-KFULVZMISA-N
MW356.47 g/mol
LogP6.17
Rot. Bonds3

About (2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan

(2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan (PubChem CID 23238357) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan.

Molecular Properties

Compound Name(2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
PubChem CID23238357
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name(2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
SMILESCC12C[C@@H](c3ccccc3)OC1(c1ccccc1)O[C@@H](c1ccccc1)C2
InChIInChI=1S/C25H24O2/c1-24-17-22(19-11-5-2-6-12-19)26-25(24,21-15-9-4-10-16-21)27-23(18-24)20-13-7-3-8-14-20/h2-16,22-23H,17-18H2,1H3/t22-,23+,24?,25?
InChIKeyQKRSNGGOCNTJBN-KFULVZMISA-N
XLogP6.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan?
The IUPAC name of (2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan (CID 23238357) is (2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan.
What is the SMILES notation for (2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan?
The canonical SMILES for (2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan is CC12C[C@@H](c3ccccc3)OC1(c1ccccc1)O[C@@H](c1ccccc1)C2.
What is the InChIKey of (2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan?
The InChIKey is QKRSNGGOCNTJBN-KFULVZMISA-N. The full InChI is InChI=1S/C25H24O2/c1-24-17-22(19-11-5-2-6-12-19)26-25(24,21-15-9-4-10-16-21)27-23(18-24)20-13-7-3-8-14-20/h2-16,22-23H,17-18H2,1H3/t22-,23+,24?,25?.
What are the key properties of (2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan?
(2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan has a molecular weight of 356.47 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-3a-methyl-2,5,6a-triphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan is sourced from PubChem (CID 23238357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).