6-bromo-4-chloro-3-fluoro-2-methoxyphenol

C7H5BrClFO2 — CID 84708614

IUPAC6-bromo-4-chloro-3-fluoro-2-methoxyphenol
SMILESCOc1c(O)c(Br)cc(Cl)c1F
InChIInChI=1S/C7H5BrClFO2/c1-12-7-5(10)4(9)2-3(8)6(7)11/h2,11H,1H3
InChIKeyCEOSAHYFYPUTSN-UHFFFAOYSA-N
MW255.47 g/mol
LogP2.96
Rot. Bonds1

About 6-bromo-4-chloro-3-fluoro-2-methoxyphenol

6-bromo-4-chloro-3-fluoro-2-methoxyphenol (PubChem CID 84708614) has the molecular formula C7H5BrClFO2 and a molecular weight of 255.47 g/mol. Its IUPAC name is 6-bromo-4-chloro-3-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name6-bromo-4-chloro-3-fluoro-2-methoxyphenol
PubChem CID84708614
Molecular FormulaC7H5BrClFO2
Molecular Weight255.47 g/mol
Exact Mass253.91
IUPAC Name6-bromo-4-chloro-3-fluoro-2-methoxyphenol
SMILESCOc1c(O)c(Br)cc(Cl)c1F
InChIInChI=1S/C7H5BrClFO2/c1-12-7-5(10)4(9)2-3(8)6(7)11/h2,11H,1H3
InChIKeyCEOSAHYFYPUTSN-UHFFFAOYSA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-6-chloro-2-fluoro-3-methoxyphenol
CID 84805039
5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
CID 84664376
4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
CID 117341360
5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736
2-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117379954
3-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 84706671
6-bromo-2-methoxy-3,4-dimethylphenol
CID 84694174
5-bromo-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84803664
5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84778086
6-amino-4-bromo-2-fluoro-3-methoxyphenol
CID 84797950
3-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117443311
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-3-fluoro-2-methoxyphenol?
The IUPAC name of 6-bromo-4-chloro-3-fluoro-2-methoxyphenol (CID 84708614) is 6-bromo-4-chloro-3-fluoro-2-methoxyphenol.
What is the SMILES notation for 6-bromo-4-chloro-3-fluoro-2-methoxyphenol?
The canonical SMILES for 6-bromo-4-chloro-3-fluoro-2-methoxyphenol is COc1c(O)c(Br)cc(Cl)c1F.
What is the InChIKey of 6-bromo-4-chloro-3-fluoro-2-methoxyphenol?
The InChIKey is CEOSAHYFYPUTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO2/c1-12-7-5(10)4(9)2-3(8)6(7)11/h2,11H,1H3.
What are the key properties of 6-bromo-4-chloro-3-fluoro-2-methoxyphenol?
6-bromo-4-chloro-3-fluoro-2-methoxyphenol has a molecular weight of 255.47 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-3-fluoro-2-methoxyphenol is sourced from PubChem (CID 84708614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).