1-(3,4,5-Trimethoxyphenyl)-2-propyn-1-ol - CAS 10079-74-0
Catalog: |
BB000340 |
Product Name: |
1-(3,4,5-Trimethoxyphenyl)-2-propyn-1-ol |
CAS: |
10079-74-0 |
Synonyms: |
1-(3,4,5-trimethoxyphenyl)-2-propyn-1-ol; 1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol |
IUPAC Name: | 1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol |
Description: | 1-(3,4,5-Trimethoxyphenyl)-2-propyn-1-ol (CAS# 10079-74-0 ) is a useful research chemical. |
Molecular Weight: | 222.24 |
Molecular Formula: | C12H14O4 |
Canonical SMILES: | COC1=CC(=CC(=C1OC)OC)C(C#C)O |
InChI: | InChI=1S/C12H14O4/c1-5-9(13)8-6-10(14-2)12(16-4)11(7-8)15-3/h1,6-7,9,13H,2-4H3 |
InChI Key: | QLURCXIOPBRTBZ-UHFFFAOYSA-N |
Boiling Point: | 180 - 182 °C (2 mmHg) |
LogP: | 1.37900 |
Publication Number | Title | Priority Date |
US-10383831-B2 | 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use | 20150803 |
US-2018243239-A1 | 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use | 20150803 |
WO-2017023912-A1 | 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use | 20150803 |
CA-2854329-A1 | Heterocyclic analogs of propargyl-linked inhibitors of dihydrofolate reductase | 20111107 |
DK-2776404-T3 | Heterocyclic Analogues of propargyl BOUND INHIBITORS OF dihydrofolate reductase | 20111107 |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.08920892 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 47.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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