2-(4-Methoxyphenyl)-4-pentyn-2-ol - CAS 95445-12-8
Catalog: |
BB041726 |
Product Name: |
2-(4-Methoxyphenyl)-4-pentyn-2-ol |
CAS: |
95445-12-8 |
Synonyms: |
2-(4-methoxyphenyl)-4-pentyn-2-ol; 2-(4-methoxyphenyl)pent-4-yn-2-ol |
IUPAC Name: | 2-(4-methoxyphenyl)pent-4-yn-2-ol |
Description: | 2-(4-Methoxyphenyl)-4-pentyn-2-ol (CAS# 95445-12-8 ) is a useful research chemical. |
Molecular Weight: | 190.24 |
Molecular Formula: | C12H14O2 |
Canonical SMILES: | CC(CC#C)(C1=CC=C(C=C1)OC)O |
InChI: | InChI=1S/C12H14O2/c1-4-9-12(2,13)10-5-7-11(14-3)8-6-10/h1,5-8,13H,9H2,2-3H3 |
InChI Key: | AWDDQFIPRQAOQQ-UHFFFAOYSA-N |
LogP: | 1.92600 |
Publication Number | Title | Priority Date |
AU-4731199-A | Methods for synthesis of substituted tetrahydrofuran compound | 19980703 |
AU-4966199-A | Substituted oxygen alicyclic compounds, including methods for synthesis thereof | 19980703 |
AU-750592-B2 | Methods for synthesis of substituted tetrahydrofuran compound | 19980703 |
EP-1094805-A1 | Substituted oxygen alicyclic compounds, including methods for synthesis thereof | 19980703 |
EP-1094805-A4 | ALICYCLIC COMPOUNDS WITH SUBSTITUTED OXYGEN ATOM, AND THEIR PREPARATION METHOD | 19980703 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.099379685 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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