1-(3,4-Dimethoxyphenyl)-2-propyn-1-ol - CAS 6953-67-9
Catalog: |
BB033862 |
Product Name: |
1-(3,4-Dimethoxyphenyl)-2-propyn-1-ol |
CAS: |
6953-67-9 |
Synonyms: |
1-(3,4-dimethoxyphenyl)-2-propyn-1-ol; 1-(3,4-dimethoxyphenyl)prop-2-yn-1-ol |
IUPAC Name: | 1-(3,4-dimethoxyphenyl)prop-2-yn-1-ol |
Description: | 1-(3,4-Dimethoxyphenyl)-2-propyn-1-ol (CAS# 6953-67-9 ) is a useful research chemical. |
Molecular Weight: | 192.21 |
Molecular Formula: | C11H12O3 |
Canonical SMILES: | COC1=C(C=C(C=C1)C(C#C)O)OC |
InChI: | InChI=1S/C11H12O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h1,5-7,9,12H,2-3H3 |
InChI Key: | QSTWINSINQGTDH-UHFFFAOYSA-N |
Boiling Point: | 296.3 °C at 760 mmHg |
Density: | 1.138 g/cm3 |
LogP: | 1.37040 |
Publication Number | Title | Priority Date |
EP-3406600-A1 | Trpm8 receptor agonist compounds and uses thereof | 20160119 |
US-2019022068-A1 | Trpm8 receptor agonist compounds and uses thereof | 20160119 |
EP-3406600-B1 | Trpm8 receptor agonist compounds and uses thereof | 20160119 |
US-10905679-B2 | TRPM8 receptor agonist compounds and uses thereof | 20160119 |
US-10383831-B2 | 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use | 20150803 |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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