2-(2-Cyclopenten-1-yl)-phenol - CAS 6627-83-4
Catalog: |
BB068880 |
Product Name: |
2-(2-Cyclopenten-1-yl)-phenol |
CAS: |
6627-83-4 |
Synonyms: |
(±)-2-(Cyclopent-2-enyl)phenol; 2-(Cyclopent-2-en-1-yl)phenol; NSC 60237; o-2-Cyclopenten-1-yl-phenol |
IUPAC Name: | 2-cyclopent-2-en-1-ylphenol |
Description: | 2-(2-Cyclopenten-1-yl)-phenol is an intermediate used in the synthesis of (S)-Penbutolol Sulfate (P220505), which is an isomer of Penbutolol (P220500), a β-adrenoceptor antagonist. Antihypertensive. |
Molecular Weight: | 160.21 |
Molecular Formula: | C11H12O |
Canonical SMILES: | C1CC(C=C1)C2=CC=CC=C2O |
InChI: | InChI=1S/C11H12O/c12-11-8-4-3-7-10(11)9-5-1-2-6-9/h1,3-5,7-9,12H,2,6H2 |
InChI Key: | JQMOEVZWJDFKPQ-UHFFFAOYSA-N |
References: | Lassen, J.B. Eur. J. Pharmacol., 47, 351 (1978), Lund, J., et al. Acta Pharmacol. Toxicol., 51, 351, (1982),. |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.088815002 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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