(3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan

C19H20O2 — CID 11492874

IUPAC(3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
SMILESC[C@]12CO[C@@H](c3ccccc3)[C@H]1CO[C@@H]2c1ccccc1
InChIInChI=1S/C19H20O2/c1-19-13-21-17(14-8-4-2-5-9-14)16(19)12-20-18(19)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3/t16-,17+,18-,19+/m1/s1
InChIKeyHSJHKTKCQLCJDM-HCXYKTFWSA-N
MW280.37 g/mol
LogP4.15
Rot. Bonds2

About (3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan

(3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan (PubChem CID 11492874) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan.

Molecular Properties

Compound Name(3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
PubChem CID11492874
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
SMILESC[C@]12CO[C@@H](c3ccccc3)[C@H]1CO[C@@H]2c1ccccc1
InChIInChI=1S/C19H20O2/c1-19-13-21-17(14-8-4-2-5-9-14)16(19)12-20-18(19)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3/t16-,17+,18-,19+/m1/s1
InChIKeyHSJHKTKCQLCJDM-HCXYKTFWSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan?
The IUPAC name of (3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan (CID 11492874) is (3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan.
What is the SMILES notation for (3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan?
The canonical SMILES for (3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan is C[C@]12CO[C@@H](c3ccccc3)[C@H]1CO[C@@H]2c1ccccc1.
What is the InChIKey of (3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan?
The InChIKey is HSJHKTKCQLCJDM-HCXYKTFWSA-N. The full InChI is InChI=1S/C19H20O2/c1-19-13-21-17(14-8-4-2-5-9-14)16(19)12-20-18(19)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3/t16-,17+,18-,19+/m1/s1.
What are the key properties of (3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan?
(3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan has a molecular weight of 280.37 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan is sourced from PubChem (CID 11492874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).