6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol

C9H10BrFO2 — CID 117375119

IUPAC6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol
SMILESCc1c(F)cc(Br)c(O)c1CCO
InChIInChI=1S/C9H10BrFO2/c1-5-6(2-3-12)9(13)7(10)4-8(5)11/h4,12-13H,2-3H2,1H3
InChIKeyFPOMMTDZWXQBCE-UHFFFAOYSA-N
MW249.08 g/mol
LogP2.14
Rot. Bonds2

About 6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol

6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol (PubChem CID 117375119) has the molecular formula C9H10BrFO2 and a molecular weight of 249.08 g/mol. Its IUPAC name is 6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol.

Molecular Properties

Compound Name6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol
PubChem CID117375119
Molecular FormulaC9H10BrFO2
Molecular Weight249.08 g/mol
Exact Mass247.98
IUPAC Name6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol
SMILESCc1c(F)cc(Br)c(O)c1CCO
InChIInChI=1S/C9H10BrFO2/c1-5-6(2-3-12)9(13)7(10)4-8(5)11/h4,12-13H,2-3H2,1H3
InChIKeyFPOMMTDZWXQBCE-UHFFFAOYSA-N
XLogP2.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol
CID 84697319
6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol
CID 117420933
2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol
CID 117380280
2-amino-3-(3-bromo-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid
CID 117471347
6-bromo-2-(2-hydroxyethyl)-3-methylphenol
CID 117333496
3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol
CID 117341488
2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol
CID 84711152
2-(3-aminopropyl)-6-bromo-3,4-difluorophenol
CID 83902395
2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol
CID 84774420
N-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 84806968
ethyl 2-(3-bromo-5-fluoro-2-hydroxy-6-methylphenyl)-2-hydroxyacetate
CID 117492075

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol?
The IUPAC name of 6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol (CID 117375119) is 6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol.
What is the SMILES notation for 6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol?
The canonical SMILES for 6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol is Cc1c(F)cc(Br)c(O)c1CCO.
What is the InChIKey of 6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol?
The InChIKey is FPOMMTDZWXQBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO2/c1-5-6(2-3-12)9(13)7(10)4-8(5)11/h4,12-13H,2-3H2,1H3.
What are the key properties of 6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol?
6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol has a molecular weight of 249.08 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol is sourced from PubChem (CID 117375119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).