2-(3-Methoxyphenyl)-4-pentyn-2-ol - CAS 1343765-41-2
Catalog: |
BB007921 |
Product Name: |
2-(3-Methoxyphenyl)-4-pentyn-2-ol |
CAS: |
1343765-41-2 |
Synonyms: |
2-(3-methoxyphenyl)-4-pentyn-2-ol; 2-(3-methoxyphenyl)pent-4-yn-2-ol |
IUPAC Name: | 2-(3-methoxyphenyl)pent-4-yn-2-ol |
Description: | 2-(3-Methoxyphenyl)-4-pentyn-2-ol (CAS# 1343765-41-2 ) is a useful research chemical. |
Molecular Weight: | 190.24 |
Molecular Formula: | C12H14O2 |
Canonical SMILES: | CC(CC#C)(C1=CC(=CC=C1)OC)O |
InChI: | InChI=1S/C12H14O2/c1-4-8-12(2,13)10-6-5-7-11(9-10)14-3/h1,5-7,9,13H,8H2,2-3H3 |
InChI Key: | HPULPOURBLHBDW-UHFFFAOYSA-N |
LogP: | 1.92600 |
Complexity: | 228 |
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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