2-bromo-6-fluoro-4-propylphenol

C9H10BrFO — CID 69428563

IUPAC2-bromo-6-fluoro-4-propylphenol
SMILESCCCc1cc(F)c(O)c(Br)c1
InChIInChI=1S/C9H10BrFO/c1-2-3-6-4-7(10)9(12)8(11)5-6/h4-5,12H,2-3H2,1H3
InChIKeyUTFUOWMLKHREOS-UHFFFAOYSA-N
MW233.08 g/mol
LogP3.25
Rot. Bonds2

About 2-bromo-6-fluoro-4-propylphenol

2-bromo-6-fluoro-4-propylphenol (PubChem CID 69428563) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is 2-bromo-6-fluoro-4-propylphenol.

Molecular Properties

Compound Name2-bromo-6-fluoro-4-propylphenol
PubChem CID69428563
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name2-bromo-6-fluoro-4-propylphenol
SMILESCCCc1cc(F)c(O)c(Br)c1
InChIInChI=1S/C9H10BrFO/c1-2-3-6-4-7(10)9(12)8(11)5-6/h4-5,12H,2-3H2,1H3
InChIKeyUTFUOWMLKHREOS-UHFFFAOYSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(bromomethyl)-1,3-difluoro-5-propylbenzene
CID 142578213
2,3-difluoro-5-propylphenol;ethane
CID 143889142
2,6-difluoro-4-propylaniline
CID 19781718
2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol
CID 69428161
(2,6-difluoro-4-propylphenyl)boronic acid
CID 19783701
2-bromo-6-fluorobenzene-1,4-diol
CID 84674762
3-bromo-2-fluoro-5-propylbenzamide
CID 58540669
1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one
CID 141151688
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
5-propylbenzene-1,3-diol
CID 3083600
2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene
CID 20705700
1-bromo-2-fluoro-4-(4-propylphenyl)benzene
CID 19917644

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-4-propylphenol?
The IUPAC name of 2-bromo-6-fluoro-4-propylphenol (CID 69428563) is 2-bromo-6-fluoro-4-propylphenol.
What is the SMILES notation for 2-bromo-6-fluoro-4-propylphenol?
The canonical SMILES for 2-bromo-6-fluoro-4-propylphenol is CCCc1cc(F)c(O)c(Br)c1.
What is the InChIKey of 2-bromo-6-fluoro-4-propylphenol?
The InChIKey is UTFUOWMLKHREOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-2-3-6-4-7(10)9(12)8(11)5-6/h4-5,12H,2-3H2,1H3.
What are the key properties of 2-bromo-6-fluoro-4-propylphenol?
2-bromo-6-fluoro-4-propylphenol has a molecular weight of 233.08 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-4-propylphenol is sourced from PubChem (CID 69428563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).