(2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol

C13H16O4 — CID 11128285

IUPAC(2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol
SMILESC[C@H]1O[C@@H](c2ccccc2)O[C@H]2CC(O)O[C@H]21
InChIInChI=1S/C13H16O4/c1-8-12-10(7-11(14)17-12)16-13(15-8)9-5-3-2-4-6-9/h2-6,8,10-14H,7H2,1H3/t8-,10+,11?,12+,13-/m1/s1
InChIKeyRQRZBZHYJAXYAW-KGBGXNQPSA-N
MW236.27 g/mol
LogP1.60
Rot. Bonds1

About (2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol

(2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol (PubChem CID 11128285) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol.

Molecular Properties

Compound Name(2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol
PubChem CID11128285
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name(2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol
SMILESC[C@H]1O[C@@H](c2ccccc2)O[C@H]2CC(O)O[C@H]21
InChIInChI=1S/C13H16O4/c1-8-12-10(7-11(14)17-12)16-13(15-8)9-5-3-2-4-6-9/h2-6,8,10-14H,7H2,1H3/t8-,10+,11?,12+,13-/m1/s1
InChIKeyRQRZBZHYJAXYAW-KGBGXNQPSA-N
XLogP1.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol with MolForge

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Launch Full Analysis

Related Compounds

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(8aS)-2-phenyl-4a,7,8,8a-tetrahydro-4H-1,3-benzodioxin-7-ol
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(2R,4aR,7S,8R)-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
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Frequently Asked Questions

What is the IUPAC name of (2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol?
The IUPAC name of (2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol (CID 11128285) is (2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol.
What is the SMILES notation for (2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol?
The canonical SMILES for (2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol is C[C@H]1O[C@@H](c2ccccc2)O[C@H]2CC(O)O[C@H]21.
What is the InChIKey of (2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol?
The InChIKey is RQRZBZHYJAXYAW-KGBGXNQPSA-N. The full InChI is InChI=1S/C13H16O4/c1-8-12-10(7-11(14)17-12)16-13(15-8)9-5-3-2-4-6-9/h2-6,8,10-14H,7H2,1H3/t8-,10+,11?,12+,13-/m1/s1.
What are the key properties of (2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol?
(2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol has a molecular weight of 236.27 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol is sourced from PubChem (CID 11128285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).