4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol

C9H10BrFO2 — CID 84706862

IUPAC4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol
SMILESCc1c(Br)cc(F)c(O)c1C(C)O
InChIInChI=1S/C9H10BrFO2/c1-4-6(10)3-7(11)9(13)8(4)5(2)12/h3,5,12-13H,1-2H3
InChIKeyTYEONCQHTHQHPW-UHFFFAOYSA-N
MW249.08 g/mol
LogP2.66
Rot. Bonds1

About 4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol

4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol (PubChem CID 84706862) has the molecular formula C9H10BrFO2 and a molecular weight of 249.08 g/mol. Its IUPAC name is 4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol.

Molecular Properties

Compound Name4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol
PubChem CID84706862
Molecular FormulaC9H10BrFO2
Molecular Weight249.08 g/mol
Exact Mass247.98
IUPAC Name4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol
SMILESCc1c(Br)cc(F)c(O)c1C(C)O
InChIInChI=1S/C9H10BrFO2/c1-4-6(10)3-7(11)9(13)8(4)5(2)12/h3,5,12-13H,1-2H3
InChIKeyTYEONCQHTHQHPW-UHFFFAOYSA-N
XLogP2.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol
CID 117369438
3-(3-bromo-2,5-difluoro-6-hydroxyphenyl)butanal
CID 117447250
1-(3-bromo-5-fluoro-2-methylphenyl)ethanol
CID 84696341
2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol
CID 117423608
ethyl 2-(3-bromo-5-fluoro-2-hydroxy-6-methylphenyl)-2-hydroxyacetate
CID 117492075
2,6-difluoro-4-methylphenol;rutherfordium
CID 59884291
3,5-dibromo-2,6-dimethylphenol
CID 13108684
6-bromo-4-(1-hydroxyethyl)-1,3-benzodioxol-5-ol
CID 84710343
2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol
CID 84711152
1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol
CID 117369429
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393
2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84698228

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol?
The IUPAC name of 4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol (CID 84706862) is 4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol.
What is the SMILES notation for 4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol?
The canonical SMILES for 4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol is Cc1c(Br)cc(F)c(O)c1C(C)O.
What is the InChIKey of 4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol?
The InChIKey is TYEONCQHTHQHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO2/c1-4-6(10)3-7(11)9(13)8(4)5(2)12/h3,5,12-13H,1-2H3.
What are the key properties of 4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol?
4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol has a molecular weight of 249.08 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol is sourced from PubChem (CID 84706862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).