3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol

C8H8BrFO2 — CID 117341488

IUPAC3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol
SMILESOCCc1c(Br)ccc(F)c1O
InChIInChI=1S/C8H8BrFO2/c9-6-1-2-7(10)8(12)5(6)3-4-11/h1-2,11-12H,3-4H2
InChIKeyRWPGPAPWCOKYCD-UHFFFAOYSA-N
MW235.05 g/mol
LogP1.83
Rot. Bonds2

About 3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol

3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol (PubChem CID 117341488) has the molecular formula C8H8BrFO2 and a molecular weight of 235.05 g/mol. Its IUPAC name is 3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol.

Molecular Properties

Compound Name3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol
PubChem CID117341488
Molecular FormulaC8H8BrFO2
Molecular Weight235.05 g/mol
Exact Mass233.97
IUPAC Name3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol
SMILESOCCc1c(Br)ccc(F)c1O
InChIInChI=1S/C8H8BrFO2/c9-6-1-2-7(10)8(12)5(6)3-4-11/h1-2,11-12H,3-4H2
InChIKeyRWPGPAPWCOKYCD-UHFFFAOYSA-N
XLogP1.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.05
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-6-fluorobenzene-1,2-diol
CID 45093034
6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol
CID 117375119
6-bromo-2-(2-hydroxyethyl)-3-methylphenol
CID 117333496
2,4-difluoro-3-(2-hydroxyethyl)phenol
CID 117277061
2-(3-bromo-6-chloro-2-fluorophenyl)ethanol
CID 69129583
2-(2-bromo-3-chloro-6-fluorophenyl)ethanol
CID 117386874
2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol
CID 106264542
2-(3-aminopropyl)-6-bromo-3-fluorophenol
CID 83900259
(2-amino-6-bromo-3-fluorophenyl)methanol
CID 71299189
6-bromo-2-ethyl-3-fluorophenol
CID 130713861
2-[(1S)-1-amino-3-hydroxypropyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253035
1-(3-bromo-6-fluoro-2-hydroxyphenyl)propan-2-one
CID 83900120

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol?
The IUPAC name of 3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol (CID 117341488) is 3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol.
What is the SMILES notation for 3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol?
The canonical SMILES for 3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol is OCCc1c(Br)ccc(F)c1O.
What is the InChIKey of 3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol?
The InChIKey is RWPGPAPWCOKYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO2/c9-6-1-2-7(10)8(12)5(6)3-4-11/h1-2,11-12H,3-4H2.
What are the key properties of 3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol?
3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol has a molecular weight of 235.05 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol is sourced from PubChem (CID 117341488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).