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

C7H5BrClFO2 — CID 84805039

IUPAC4-bromo-6-chloro-2-fluoro-3-methoxyphenol
SMILESCOc1c(Br)cc(Cl)c(O)c1F
InChIInChI=1S/C7H5BrClFO2/c1-12-7-3(8)2-4(9)6(11)5(7)10/h2,11H,1H3
InChIKeyXRKGGVURQSDPQH-UHFFFAOYSA-N
MW255.47 g/mol
LogP2.96
Rot. Bonds1

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

4-bromo-6-chloro-2-fluoro-3-methoxyphenol (PubChem CID 84805039) has the molecular formula C7H5BrClFO2 and a molecular weight of 255.47 g/mol. Its IUPAC name is 4-bromo-6-chloro-2-fluoro-3-methoxyphenol.

Molecular Properties

Compound Name4-bromo-6-chloro-2-fluoro-3-methoxyphenol
PubChem CID84805039
Molecular FormulaC7H5BrClFO2
Molecular Weight255.47 g/mol
Exact Mass253.91
IUPAC Name4-bromo-6-chloro-2-fluoro-3-methoxyphenol
SMILESCOc1c(Br)cc(Cl)c(O)c1F
InChIInChI=1S/C7H5BrClFO2/c1-12-7-3(8)2-4(9)6(11)5(7)10/h2,11H,1H3
InChIKeyXRKGGVURQSDPQH-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

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Related Compounds

6-bromo-4-chloro-3-fluoro-2-methoxyphenol
CID 84708614
6-amino-4-bromo-2-fluoro-3-methoxyphenol
CID 84797950
5-bromo-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84803664
6-chloro-2-fluoro-4-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84795724
4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol
CID 84807288
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84778086
5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
CID 84664376
4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol
CID 117489228
5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol
CID 162005787
4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol
CID 117491089
5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-2-fluoro-3-methoxyphenol?
The IUPAC name of 4-bromo-6-chloro-2-fluoro-3-methoxyphenol (CID 84805039) is 4-bromo-6-chloro-2-fluoro-3-methoxyphenol.
What is the SMILES notation for 4-bromo-6-chloro-2-fluoro-3-methoxyphenol?
The canonical SMILES for 4-bromo-6-chloro-2-fluoro-3-methoxyphenol is COc1c(Br)cc(Cl)c(O)c1F.
What is the InChIKey of 4-bromo-6-chloro-2-fluoro-3-methoxyphenol?
The InChIKey is XRKGGVURQSDPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO2/c1-12-7-3(8)2-4(9)6(11)5(7)10/h2,11H,1H3.
What are the key properties of 4-bromo-6-chloro-2-fluoro-3-methoxyphenol?
4-bromo-6-chloro-2-fluoro-3-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 4-bromo-6-chloro-2-fluoro-3-methoxyphenol is sourced from PubChem (CID 84805039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).