2-(4-Biphenylyl)-4-pentyn-2-ol - CAS 1193092-70-4
Catalog: |
BB004461 |
Product Name: |
2-(4-Biphenylyl)-4-pentyn-2-ol |
CAS: |
1193092-70-4 |
Synonyms: |
2-(4-phenylphenyl)-4-pentyn-2-ol; 2-(4-phenylphenyl)pent-4-yn-2-ol |
IUPAC Name: | 2-(4-phenylphenyl)pent-4-yn-2-ol |
Description: | 2-(4-Biphenylyl)-4-pentyn-2-ol (CAS# 1193092-70-4 ) is a useful research chemical. |
Molecular Weight: | 236.31 |
Molecular Formula: | C17H16O |
Canonical SMILES: | CC(CC#C)(C1=CC=C(C=C1)C2=CC=CC=C2)O |
InChI: | InChI=1S/C17H16O/c1-3-13-17(2,18)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h1,4-12,18H,13H2,2H3 |
InChI Key: | SIBIMQJSUXPRTN-UHFFFAOYSA-N |
LogP: | 3.58440 |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.12011513 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.12011513 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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