4-(2-bromophenyl)-3-fluorophenol

C12H8BrFO — CID 83129875

IUPAC4-(2-bromophenyl)-3-fluorophenol
SMILESOc1ccc(-c2ccccc2Br)c(F)c1
InChIInChI=1S/C12H8BrFO/c13-11-4-2-1-3-9(11)10-6-5-8(15)7-12(10)14/h1-7,15H
InChIKeyKJNMMKNWMYGBBF-UHFFFAOYSA-N
MW267.10 g/mol
LogP3.96
Rot. Bonds1

About 4-(2-bromophenyl)-3-fluorophenol

4-(2-bromophenyl)-3-fluorophenol (PubChem CID 83129875) has the molecular formula C12H8BrFO and a molecular weight of 267.10 g/mol. Its IUPAC name is 4-(2-bromophenyl)-3-fluorophenol.

Molecular Properties

Compound Name4-(2-bromophenyl)-3-fluorophenol
PubChem CID83129875
Molecular FormulaC12H8BrFO
Molecular Weight267.10 g/mol
Exact Mass265.97
IUPAC Name4-(2-bromophenyl)-3-fluorophenol
SMILESOc1ccc(-c2ccccc2Br)c(F)c1
InChIInChI=1S/C12H8BrFO/c13-11-4-2-1-3-9(11)10-6-5-8(15)7-12(10)14/h1-7,15H
InChIKeyKJNMMKNWMYGBBF-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 4-(2-bromophenyl)-3-fluorophenol?
The IUPAC name of 4-(2-bromophenyl)-3-fluorophenol (CID 83129875) is 4-(2-bromophenyl)-3-fluorophenol.
What is the SMILES notation for 4-(2-bromophenyl)-3-fluorophenol?
The canonical SMILES for 4-(2-bromophenyl)-3-fluorophenol is Oc1ccc(-c2ccccc2Br)c(F)c1.
What is the InChIKey of 4-(2-bromophenyl)-3-fluorophenol?
The InChIKey is KJNMMKNWMYGBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO/c13-11-4-2-1-3-9(11)10-6-5-8(15)7-12(10)14/h1-7,15H.
What are the key properties of 4-(2-bromophenyl)-3-fluorophenol?
4-(2-bromophenyl)-3-fluorophenol 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 4-(2-bromophenyl)-3-fluorophenol is sourced from PubChem (CID 83129875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).