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

C15H11Br2NO2 — CID 136658136

IUPAC2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
SMILESCCc1ccc2oc(-c3cc(Br)c(O)c(Br)c3)nc2c1
InChIInChI=1S/C15H11Br2NO2/c1-2-8-3-4-13-12(5-8)18-15(20-13)9-6-10(16)14(19)11(17)7-9/h3-7,19H,2H2,1H3
InChIKeyWCMYJLSLQVOFGG-UHFFFAOYSA-N
MW397.07 g/mol
LogP5.29
Rot. Bonds2

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

2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol (PubChem CID 136658136) has the molecular formula C15H11Br2NO2 and a molecular weight of 397.07 g/mol. Its IUPAC name is 2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
PubChem CID136658136
Molecular FormulaC15H11Br2NO2
Molecular Weight397.07 g/mol
Exact Mass394.92
IUPAC Name2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
SMILESCCc1ccc2oc(-c3cc(Br)c(O)c(Br)c3)nc2c1
InChIInChI=1S/C15H11Br2NO2/c1-2-8-3-4-13-12(5-8)18-15(20-13)9-6-10(16)14(19)11(17)7-9/h3-7,19H,2H2,1H3
InChIKeyWCMYJLSLQVOFGG-UHFFFAOYSA-N
XLogP5.29
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.07
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
2-(5-bromo-1-methylpyridin-1-ium-3-yl)-5-ethyl-1,3-benzoxazole
CID 100817823
4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
CID 91684357
2-(5-bromo-1-ethylpyridin-1-ium-3-yl)-5-ethyl-1,3-benzoxazole iodide
CID 102552397
N-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide
CID 91683717
5-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 817160
2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide
CID 91678694
4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 653891
[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol
CID 83949668
N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
CID 91677714
4-bromo-2-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 3546210
2-(3,5-dibromo-4-methylphenyl)-5-methyl-1,3-benzoxazole
CID 50880177

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol (CID 136658136) is 2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol is CCc1ccc2oc(-c3cc(Br)c(O)c(Br)c3)nc2c1.
What is the InChIKey of 2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol?
The InChIKey is WCMYJLSLQVOFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO2/c1-2-8-3-4-13-12(5-8)18-15(20-13)9-6-10(16)14(19)11(17)7-9/h3-7,19H,2H2,1H3.
What are the key properties of 2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol?
2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol has a molecular weight of 397.07 g/mol, XLogP of 5.29, 2 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-ethyl-1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 136658136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).