2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol

C9H10BrFO2 — CID 117375107

IUPAC2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
SMILESCC(O)Cc1cc(F)cc(Br)c1O
InChIInChI=1S/C9H10BrFO2/c1-5(12)2-6-3-7(11)4-8(10)9(6)13/h3-5,12-13H,2H2,1H3
InChIKeyXOUHOKXABMJLJY-UHFFFAOYSA-N
MW249.08 g/mol
LogP2.22
Rot. Bonds2

About 2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol

2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol (PubChem CID 117375107) has the molecular formula C9H10BrFO2 and a molecular weight of 249.08 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol.

Molecular Properties

Compound Name2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
PubChem CID117375107
Molecular FormulaC9H10BrFO2
Molecular Weight249.08 g/mol
Exact Mass247.98
IUPAC Name2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
SMILESCC(O)Cc1cc(F)cc(Br)c1O
InChIInChI=1S/C9H10BrFO2/c1-5(12)2-6-3-7(11)4-8(10)9(6)13/h3-5,12-13H,2H2,1H3
InChIKeyXOUHOKXABMJLJY-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol
CID 84698226
2-(2-amino-2-methylpropyl)-6-bromo-4-fluorophenol
CID 84807013
2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol
CID 83900216
2-bromo-4-fluoro-6-methoxyphenol
CID 58419882
5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
CID 117406460
1-(5-bromo-2-fluoro-4-methylphenyl)propan-2-ol
CID 117369420
2-bromo-6-[[3-[(3-bromo-5-fluoro-2-hydroxyphenyl)methyl]-5-chloro-2-hydroxyphenyl]methyl]-4-fluorophenol
CID 13064199
4-bromo-3-(2-hydroxypropyl)phenol
CID 117333494
1-(4-fluoro-2-methoxyphenyl)propan-2-ol
CID 83675442
5-fluoro-2-(2-hydroxypropyl)-4-methoxyphenol
CID 117289277
2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol
CID 117447325
2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
CID 117322314

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol?
The IUPAC name of 2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol (CID 117375107) is 2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol.
What is the SMILES notation for 2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol?
The canonical SMILES for 2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol is CC(O)Cc1cc(F)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol?
The InChIKey is XOUHOKXABMJLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO2/c1-5(12)2-6-3-7(11)4-8(10)9(6)13/h3-5,12-13H,2H2,1H3.
What are the key properties of 2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol?
2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol has a molecular weight of 249.08 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol is sourced from PubChem (CID 117375107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).