51146-55-5
Product Name:
rac 2-Hydroxy Ibuprofen
Formula:
C13H18O3
Synonyms:
2-[4-(2-Hydroxy-2-methylpropyl)phenyl]propionic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 151.94 Ų [M+Na]+ |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 222.28 g/mol |
|---|---|
| XLogP3 | 2.1 |
| 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 | 240 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-hydroxyibuprofen is a hydroxy monocarboxylic acid that is ibuprofen in which the methine proton on the isobutyl group has been replaced by a hydroxy group. It has a role as a drug metabolite. It is a hydroxy monocarboxylic acid and a tertiary alcohol.