5-bromo-2-[(1S)-1-hydroxyethyl]phenol

C8H9BrO2 — CID 102949153

IUPAC5-bromo-2-[(1S)-1-hydroxyethyl]phenol
SMILESC[C@H](O)c1ccc(Br)cc1O
InChIInChI=1S/C8H9BrO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-5,10-11H,1H3/t5-/m0/s1
InChIKeyQFCDBRJMXYPUIG-YFKPBYRVSA-N
MW217.06 g/mol
LogP2.21
Rot. Bonds1

About 5-bromo-2-[(1S)-1-hydroxyethyl]phenol

5-bromo-2-[(1S)-1-hydroxyethyl]phenol (PubChem CID 102949153) has the molecular formula C8H9BrO2 and a molecular weight of 217.06 g/mol. Its IUPAC name is 5-bromo-2-[(1S)-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name5-bromo-2-[(1S)-1-hydroxyethyl]phenol
PubChem CID102949153
Molecular FormulaC8H9BrO2
Molecular Weight217.06 g/mol
Exact Mass215.98
IUPAC Name5-bromo-2-[(1S)-1-hydroxyethyl]phenol
SMILESC[C@H](O)c1ccc(Br)cc1O
InChIInChI=1S/C8H9BrO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-5,10-11H,1H3/t5-/m0/s1
InChIKeyQFCDBRJMXYPUIG-YFKPBYRVSA-N
XLogP2.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,2S)-1-amino-2-hydroxypropyl]-5-bromophenol
CID 130691450
5-bromo-2-[(1S,2S)-1,2-diaminopropyl]phenol
CID 130863037
1-[5-bromo-2-(difluoromethyl)phenyl]ethanol
CID 84707354
2-(4-bromo-2-hydroxyphenyl)-3-methylbutanoic acid
CID 82625942
5-bromo-2-[1-(3-hydroxybutylamino)ethyl]phenol
CID 104582475
1-(2-amino-5-bromophenyl)ethanol
CID 68865052
2-[(1R,2S)-1-amino-2-hydroxybutyl]-5-bromophenol
CID 130715024
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016
2-[(1R)-1-amino-4-methylpentyl]-5-bromophenol;hydrochloride
CID 171204721
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
2-amino-5-bromophenol;2-methylpropane
CID 143907828
1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol
CID 82973483

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1S)-1-hydroxyethyl]phenol?
The IUPAC name of 5-bromo-2-[(1S)-1-hydroxyethyl]phenol (CID 102949153) is 5-bromo-2-[(1S)-1-hydroxyethyl]phenol.
What is the SMILES notation for 5-bromo-2-[(1S)-1-hydroxyethyl]phenol?
The canonical SMILES for 5-bromo-2-[(1S)-1-hydroxyethyl]phenol is C[C@H](O)c1ccc(Br)cc1O.
What is the InChIKey of 5-bromo-2-[(1S)-1-hydroxyethyl]phenol?
The InChIKey is QFCDBRJMXYPUIG-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9BrO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-5,10-11H,1H3/t5-/m0/s1.
What are the key properties of 5-bromo-2-[(1S)-1-hydroxyethyl]phenol?
5-bromo-2-[(1S)-1-hydroxyethyl]phenol has a molecular weight of 217.06 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(1S)-1-hydroxyethyl]phenol is sourced from PubChem (CID 102949153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).