3- (1, 3- Dioxolan- 2- yl) - 2- (2- propen- 1- yl) -phenol - CAS 773096-46-1
Catalog: |
BB066384 |
Product Name: |
3- (1, 3- Dioxolan- 2- yl) - 2- (2- propen- 1- yl) -phenol |
CAS: |
773096-46-1 |
Synonyms: |
2-Allyl-3-(1,3-dioxolan-2-yl)phenol; 3-(1,3-dioxolan-2-yl)-2-prop-2-enylphenol |
IUPAC Name: | 3-(1,3-dioxolan-2-yl)-2-prop-2-enylphenol |
Description: | 3- (1, 3- Dioxolan- 2- yl) - 2- (2- propen- 1- yl) -phenol is a derivative of 2-Allyl-3-hydroxybenzaldehyde (A614503(P)), which is useful for diastereoselective preparation of bicyclic compounds. |
Molecular Weight: | 206.24 |
Molecular Formula: | C12H14O3 |
Canonical SMILES: | C=CCC1=C(C=CC=C1O)C2OCCO2 |
InChI: | InChI=1S/C12H14O3/c1-2-4-9-10(5-3-6-11(9)13)12-14-7-8-15-12/h2-3,5-6,12-13H,1,4,7-8H2 |
InChI Key: | BIDKQBXTFQPLDS-UHFFFAOYSA-N |
References: | Gallhof, M., et al. Chem. Eur. J., 26, 1772 (2020). |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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