(2E)-3-[4-(Phenylmethoxy)phenyl]-2-propen-1-ol - CAS 84184-52-1
Catalog: |
BB058216 |
Product Name: |
(2E)-3-[4-(Phenylmethoxy)phenyl]-2-propen-1-ol |
CAS: |
84184-52-1 |
Synonyms: |
(E)-2-Propen-1-ol, 3-[4-(phenylmethoxy)phenyl] |
IUPAC Name: | 3-(3-phenylmethoxyphenyl)prop-2-en-1-ol |
Description: | (2E)-3-[4-(Phenylmethoxy)phenyl]-2-propen-1-ol is used as a regeant in the synthesis for regioselectivity and stereoselective carboxylation of allylic alcohols.1 |
Molecular Weight: | 240.3 |
Molecular Formula: | C16H16O2 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=CC(=C2)C=CCO |
InChI: | InChI=1S/C16H16O2/c17-11-5-9-14-8-4-10-16(12-14)18-13-15-6-2-1-3-7-15/h1-10,12,17H,11,13H2 |
InChI Key: | QQGGFBBEVHNLKT-UHFFFAOYSA-N |
References: | 1. Fu, M.C., et al. Chem. Eur. J., 23, 8818-8822 (2017). |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.115029749 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 29.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 3.1 |
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