(2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane

C13H16O2 — CID 71376459

IUPAC(2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane
SMILESC=CC[C@@H]1OCC[C@H](c2ccccc2)O1
InChIInChI=1S/C13H16O2/c1-2-6-13-14-10-9-12(15-13)11-7-4-3-5-8-11/h2-5,7-8,12-13H,1,6,9-10H2/t12-,13-/m1/s1
InChIKeyOFFWTFFLOOECTO-CHWSQXEVSA-N
MW204.27 g/mol
LogP3.07
Rot. Bonds3

About (2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane

(2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane (PubChem CID 71376459) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane.

Molecular Properties

Compound Name(2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane
PubChem CID71376459
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane
SMILESC=CC[C@@H]1OCC[C@H](c2ccccc2)O1
InChIInChI=1S/C13H16O2/c1-2-6-13-14-10-9-12(15-13)11-7-4-3-5-8-11/h2-5,7-8,12-13H,1,6,9-10H2/t12-,13-/m1/s1
InChIKeyOFFWTFFLOOECTO-CHWSQXEVSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane?
The IUPAC name of (2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane (CID 71376459) is (2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane.
What is the SMILES notation for (2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane?
The canonical SMILES for (2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane is C=CC[C@@H]1OCC[C@H](c2ccccc2)O1.
What is the InChIKey of (2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane?
The InChIKey is OFFWTFFLOOECTO-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-6-13-14-10-9-12(15-13)11-7-4-3-5-8-11/h2-5,7-8,12-13H,1,6,9-10H2/t12-,13-/m1/s1.
What are the key properties of (2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane?
(2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane has a molecular weight of 204.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-phenyl-2-prop-2-enyl-1,3-dioxane is sourced from PubChem (CID 71376459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).