(6-bromo-1,3-benzoxazol-2-yl)methanol

C8H6BrNO2 — CID 119031268

IUPAC(6-bromo-1,3-benzoxazol-2-yl)methanol
SMILESOCc1nc2ccc(Br)cc2o1
InChIInChI=1S/C8H6BrNO2/c9-5-1-2-6-7(3-5)12-8(4-11)10-6/h1-3,11H,4H2
InChIKeyVLOCHTRDDAURDT-UHFFFAOYSA-N
MW228.04 g/mol
LogP2.08
Rot. Bonds1

About (6-bromo-1,3-benzoxazol-2-yl)methanol

(6-bromo-1,3-benzoxazol-2-yl)methanol (PubChem CID 119031268) has the molecular formula C8H6BrNO2 and a molecular weight of 228.04 g/mol. Its IUPAC name is (6-bromo-1,3-benzoxazol-2-yl)methanol.

Molecular Properties

Compound Name(6-bromo-1,3-benzoxazol-2-yl)methanol
PubChem CID119031268
Molecular FormulaC8H6BrNO2
Molecular Weight228.04 g/mol
Exact Mass226.96
IUPAC Name(6-bromo-1,3-benzoxazol-2-yl)methanol
SMILESOCc1nc2ccc(Br)cc2o1
InChIInChI=1S/C8H6BrNO2/c9-5-1-2-6-7(3-5)12-8(4-11)10-6/h1-3,11H,4H2
InChIKeyVLOCHTRDDAURDT-UHFFFAOYSA-N
XLogP2.08
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.04
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-1,3-benzoxazol-2-yl)methanol?
The IUPAC name of (6-bromo-1,3-benzoxazol-2-yl)methanol (CID 119031268) is (6-bromo-1,3-benzoxazol-2-yl)methanol.
What is the SMILES notation for (6-bromo-1,3-benzoxazol-2-yl)methanol?
The canonical SMILES for (6-bromo-1,3-benzoxazol-2-yl)methanol is OCc1nc2ccc(Br)cc2o1.
What is the InChIKey of (6-bromo-1,3-benzoxazol-2-yl)methanol?
The InChIKey is VLOCHTRDDAURDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO2/c9-5-1-2-6-7(3-5)12-8(4-11)10-6/h1-3,11H,4H2.
What are the key properties of (6-bromo-1,3-benzoxazol-2-yl)methanol?
(6-bromo-1,3-benzoxazol-2-yl)methanol has a molecular weight of 228.04 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1,3-benzoxazol-2-yl)methanol is sourced from PubChem (CID 119031268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).