4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol

C13H7Br2NO2 — CID 135566326

IUPAC4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol
SMILESOc1c(Br)cc(-c2nc3ccccc3o2)cc1Br
InChIInChI=1S/C13H7Br2NO2/c14-8-5-7(6-9(15)12(8)17)13-16-10-3-1-2-4-11(10)18-13/h1-6,17H
InChIKeyDMOJYCAJRLAKQW-UHFFFAOYSA-N
MW369.01 g/mol
LogP4.73
Rot. Bonds1

About 4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol

4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol (PubChem CID 135566326) has the molecular formula C13H7Br2NO2 and a molecular weight of 369.01 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol
PubChem CID135566326
Molecular FormulaC13H7Br2NO2
Molecular Weight369.01 g/mol
Exact Mass366.88
IUPAC Name4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol
SMILESOc1c(Br)cc(-c2nc3ccccc3o2)cc1Br
InChIInChI=1S/C13H7Br2NO2/c14-8-5-7(6-9(15)12(8)17)13-16-10-3-1-2-4-11(10)18-13/h1-6,17H
InChIKeyDMOJYCAJRLAKQW-UHFFFAOYSA-N
XLogP4.73
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.01
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol (CID 135566326) is 4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol is Oc1c(Br)cc(-c2nc3ccccc3o2)cc1Br.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol?
The InChIKey is DMOJYCAJRLAKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2NO2/c14-8-5-7(6-9(15)12(8)17)13-16-10-3-1-2-4-11(10)18-13/h1-6,17H.
What are the key properties of 4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol?
4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol has a molecular weight of 369.01 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol is sourced from PubChem (CID 135566326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).