81944-40-3
Product Name:
Ethanone, 1-[4-hydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]-
Formula:
C13H18O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 222.28 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 222.125594432 g/mol |
| Monoisotopic Mass | 222.125594432 g/mol |
| Topological Polar Surface Area | 57.5 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 248 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-[4-Hydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]ethan-1-one is a natural product found in Senecio nutans with data available.