2-(2-bromo-6-fluorophenyl)-5-methylphenol

C13H10BrFO — CID 145447220

IUPAC2-(2-bromo-6-fluorophenyl)-5-methylphenol
SMILESCc1ccc(-c2c(F)cccc2Br)c(O)c1
InChIInChI=1S/C13H10BrFO/c1-8-5-6-9(12(16)7-8)13-10(14)3-2-4-11(13)15/h2-7,16H,1H3
InChIKeyZQRUDXGVFXSDLX-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.27
Rot. Bonds1

About 2-(2-bromo-6-fluorophenyl)-5-methylphenol

2-(2-bromo-6-fluorophenyl)-5-methylphenol (PubChem CID 145447220) has the molecular formula C13H10BrFO and a molecular weight of 281.12 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)-5-methylphenol.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)-5-methylphenol
PubChem CID145447220
Molecular FormulaC13H10BrFO
Molecular Weight281.12 g/mol
Exact Mass279.99
IUPAC Name2-(2-bromo-6-fluorophenyl)-5-methylphenol
SMILESCc1ccc(-c2c(F)cccc2Br)c(O)c1
InChIInChI=1S/C13H10BrFO/c1-8-5-6-9(12(16)7-8)13-10(14)3-2-4-11(13)15/h2-7,16H,1H3
InChIKeyZQRUDXGVFXSDLX-UHFFFAOYSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Vermella
CID 203726
4-Bromo-4'-hydroxybiphenyl
CID 95093
3-Bromo-4-phenylphenol
CID 66691
4-Bromo-2,3-dimethylphenol
CID 13974656
4-Bromo-2,5-dimethylphenol
CID 13974657
4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol
CID 14771912
Stilbene, 2-hydroxy-4'-bromo-
CID 5377972
2-Bromo-6-isopropyl-3-methylphenol
CID 13067772
3-Biphenylol, 4-isopropyl-
CID 45101
5-Bromonaphthalen-1-ol
CID 12336394
4-(1-Methylethyl)(1,1'-biphenyl)-2-ol
CID 6453157
Laurokamurene A
CID 16083166

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)-5-methylphenol?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)-5-methylphenol (CID 145447220) is 2-(2-bromo-6-fluorophenyl)-5-methylphenol.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)-5-methylphenol?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)-5-methylphenol is Cc1ccc(-c2c(F)cccc2Br)c(O)c1.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)-5-methylphenol?
The InChIKey is ZQRUDXGVFXSDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO/c1-8-5-6-9(12(16)7-8)13-10(14)3-2-4-11(13)15/h2-7,16H,1H3.
What are the key properties of 2-(2-bromo-6-fluorophenyl)-5-methylphenol?
2-(2-bromo-6-fluorophenyl)-5-methylphenol has a molecular weight of 281.12 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenyl)-5-methylphenol is sourced from PubChem (CID 145447220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).