3-bromo-4-(2-fluorophenyl)phenol

C12H8BrFO — CID 175958894

IUPAC3-bromo-4-(2-fluorophenyl)phenol
SMILESOc1ccc(-c2ccccc2F)c(Br)c1
InChIInChI=1S/C12H8BrFO/c13-11-7-8(15)5-6-9(11)10-3-1-2-4-12(10)14/h1-7,15H
InChIKeyOIASZAJRARVIRW-UHFFFAOYSA-N
MW267.10 g/mol
LogP3.96
Rot. Bonds1

About 3-bromo-4-(2-fluorophenyl)phenol

3-bromo-4-(2-fluorophenyl)phenol (PubChem CID 175958894) has the molecular formula C12H8BrFO and a molecular weight of 267.10 g/mol. Its IUPAC name is 3-bromo-4-(2-fluorophenyl)phenol.

Molecular Properties

Compound Name3-bromo-4-(2-fluorophenyl)phenol
PubChem CID175958894
Molecular FormulaC12H8BrFO
Molecular Weight267.10 g/mol
Exact Mass265.97
IUPAC Name3-bromo-4-(2-fluorophenyl)phenol
SMILESOc1ccc(-c2ccccc2F)c(Br)c1
InChIInChI=1S/C12H8BrFO/c13-11-7-8(15)5-6-9(11)10-3-1-2-4-12(10)14/h1-7,15H
InChIKeyOIASZAJRARVIRW-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-fluorophenyl)phenol?
The IUPAC name of 3-bromo-4-(2-fluorophenyl)phenol (CID 175958894) is 3-bromo-4-(2-fluorophenyl)phenol.
What is the SMILES notation for 3-bromo-4-(2-fluorophenyl)phenol?
The canonical SMILES for 3-bromo-4-(2-fluorophenyl)phenol is Oc1ccc(-c2ccccc2F)c(Br)c1.
What is the InChIKey of 3-bromo-4-(2-fluorophenyl)phenol?
The InChIKey is OIASZAJRARVIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO/c13-11-7-8(15)5-6-9(11)10-3-1-2-4-12(10)14/h1-7,15H.
What are the key properties of 3-bromo-4-(2-fluorophenyl)phenol?
3-bromo-4-(2-fluorophenyl)phenol has a molecular weight of 267.10 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-fluorophenyl)phenol is sourced from PubChem (CID 175958894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).