4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol

C13H7BrFNO2 — CID 135415997

IUPAC4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol
SMILESOc1ccc(-c2nc3cccc(Br)c3o2)c(F)c1
InChIInChI=1S/C13H7BrFNO2/c14-9-2-1-3-11-12(9)18-13(16-11)8-5-4-7(17)6-10(8)15/h1-6,17H
InChIKeyMIEZXDRKKSKNJD-UHFFFAOYSA-N
MW308.11 g/mol
LogP4.10
Rot. Bonds1

About 4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol

4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol (PubChem CID 135415997) has the molecular formula C13H7BrFNO2 and a molecular weight of 308.11 g/mol. Its IUPAC name is 4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol.

Molecular Properties

Compound Name4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol
PubChem CID135415997
Molecular FormulaC13H7BrFNO2
Molecular Weight308.11 g/mol
Exact Mass306.96
IUPAC Name4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol
SMILESOc1ccc(-c2nc3cccc(Br)c3o2)c(F)c1
InChIInChI=1S/C13H7BrFNO2/c14-9-2-1-3-11-12(9)18-13(16-11)8-5-4-7(17)6-10(8)15/h1-6,17H
InChIKeyMIEZXDRKKSKNJD-UHFFFAOYSA-N
XLogP4.10
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.11
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol?
The IUPAC name of 4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol (CID 135415997) is 4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol.
What is the SMILES notation for 4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol?
The canonical SMILES for 4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol is Oc1ccc(-c2nc3cccc(Br)c3o2)c(F)c1.
What is the InChIKey of 4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol?
The InChIKey is MIEZXDRKKSKNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFNO2/c14-9-2-1-3-11-12(9)18-13(16-11)8-5-4-7(17)6-10(8)15/h1-6,17H.
What are the key properties of 4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol?
4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol has a molecular weight of 308.11 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-1,3-benzoxazol-2-yl)-3-fluorophenol is sourced from PubChem (CID 135415997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).