2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol

C15H11Br2NO2 — CID 136658134

IUPAC2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol
SMILESCc1cc(C)c2oc(-c3cc(Br)c(O)c(Br)c3)nc2c1
InChIInChI=1S/C15H11Br2NO2/c1-7-3-8(2)14-12(4-7)18-15(20-14)9-5-10(16)13(19)11(17)6-9/h3-6,19H,1-2H3
InChIKeyWLFMMZZYBZOCOH-UHFFFAOYSA-N
MW397.07 g/mol
LogP5.34
Rot. Bonds1

About 2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol

2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol (PubChem CID 136658134) has the molecular formula C15H11Br2NO2 and a molecular weight of 397.07 g/mol. Its IUPAC name is 2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol
PubChem CID136658134
Molecular FormulaC15H11Br2NO2
Molecular Weight397.07 g/mol
Exact Mass394.92
IUPAC Name2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol
SMILESCc1cc(C)c2oc(-c3cc(Br)c(O)c(Br)c3)nc2c1
InChIInChI=1S/C15H11Br2NO2/c1-7-3-8(2)14-12(4-7)18-15(20-14)9-5-10(16)13(19)11(17)6-9/h3-6,19H,1-2H3
InChIKeyWLFMMZZYBZOCOH-UHFFFAOYSA-N
XLogP5.34
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.07
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dibromo-4-methylphenyl)-5,7-dimethyl-1,3-benzoxazole
CID 50880214
5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole
CID 95909923
2-(5-bromo-1-methylpyridin-1-ium-3-yl)-5,7-dimethyl-1,3-benzoxazole
CID 100817834
2-(5-bromo-1-methylpyridin-1-ium-3-yl)-5,7-dimethyl-1,3-benzoxazole iodide
CID 102552407
5,7-dimethyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-benzoxazole
CID 100817845
2-(4-tert-butylphenyl)-5,7-dimethyl-1,3-benzoxazole
CID 71242093
2-(5-bromo-1-ethylpyridin-1-ium-3-yl)-5,7-dimethyl-1,3-benzoxazole iodide
CID 102552406
2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol
CID 154609906
7-bromo-2-(3-chloro-4-methylphenyl)-5-methyl-1,3-benzoxazole
CID 51983755
5,7-dibromo-2-(3,5-dimethylphenyl)-1,3-benzoxazol-6-amine
CID 95911077
5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 1333568
5,7-dimethyl-2-[4-[(E)-2-(4-phenylphenyl)ethenyl]phenyl]-1,3-benzoxazole
CID 6441624

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol (CID 136658134) is 2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol is Cc1cc(C)c2oc(-c3cc(Br)c(O)c(Br)c3)nc2c1.
What is the InChIKey of 2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol?
The InChIKey is WLFMMZZYBZOCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO2/c1-7-3-8(2)14-12(4-7)18-15(20-14)9-5-10(16)13(19)11(17)6-9/h3-6,19H,1-2H3.
What are the key properties of 2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol?
2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol has a molecular weight of 397.07 g/mol, XLogP of 5.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 136658134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).