3-bromo-5-(3-chloro-4-fluorophenyl)phenol

C12H7BrClFO — CID 53221826

IUPAC3-bromo-5-(3-chloro-4-fluorophenyl)phenol
SMILESOc1cc(Br)cc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C12H7BrClFO/c13-9-3-8(4-10(16)6-9)7-1-2-12(15)11(14)5-7/h1-6,16H
InChIKeyWZTSIIGAGNZILR-UHFFFAOYSA-N
MW301.54 g/mol
LogP4.61
Rot. Bonds1

About 3-bromo-5-(3-chloro-4-fluorophenyl)phenol

3-bromo-5-(3-chloro-4-fluorophenyl)phenol (PubChem CID 53221826) has the molecular formula C12H7BrClFO and a molecular weight of 301.54 g/mol. Its IUPAC name is 3-bromo-5-(3-chloro-4-fluorophenyl)phenol.

Molecular Properties

Compound Name3-bromo-5-(3-chloro-4-fluorophenyl)phenol
PubChem CID53221826
Molecular FormulaC12H7BrClFO
Molecular Weight301.54 g/mol
Exact Mass299.94
IUPAC Name3-bromo-5-(3-chloro-4-fluorophenyl)phenol
SMILESOc1cc(Br)cc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C12H7BrClFO/c13-9-3-8(4-10(16)6-9)7-1-2-12(15)11(14)5-7/h1-6,16H
InChIKeyWZTSIIGAGNZILR-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-chloro-4-fluorophenyl)phenol?
The IUPAC name of 3-bromo-5-(3-chloro-4-fluorophenyl)phenol (CID 53221826) is 3-bromo-5-(3-chloro-4-fluorophenyl)phenol.
What is the SMILES notation for 3-bromo-5-(3-chloro-4-fluorophenyl)phenol?
The canonical SMILES for 3-bromo-5-(3-chloro-4-fluorophenyl)phenol is Oc1cc(Br)cc(-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-bromo-5-(3-chloro-4-fluorophenyl)phenol?
The InChIKey is WZTSIIGAGNZILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFO/c13-9-3-8(4-10(16)6-9)7-1-2-12(15)11(14)5-7/h1-6,16H.
What are the key properties of 3-bromo-5-(3-chloro-4-fluorophenyl)phenol?
3-bromo-5-(3-chloro-4-fluorophenyl)phenol has a molecular weight of 301.54 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-chloro-4-fluorophenyl)phenol is sourced from PubChem (CID 53221826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).