2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol

C15H9F2NO3 — CID 135545359

IUPAC2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol
SMILESC=Cc1cc(O)cc2nc(-c3c(F)cc(O)cc3F)oc12
InChIInChI=1S/C15H9F2NO3/c1-2-7-3-8(19)6-12-14(7)21-15(18-12)13-10(16)4-9(20)5-11(13)17/h2-6,19-20H,1H2
InChIKeyQQYOOMZAIWLSOT-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.83
Rot. Bonds2

About 2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol

2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol (PubChem CID 135545359) has the molecular formula C15H9F2NO3 and a molecular weight of 289.24 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol
PubChem CID135545359
Molecular FormulaC15H9F2NO3
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol
SMILESC=Cc1cc(O)cc2nc(-c3c(F)cc(O)cc3F)oc12
InChIInChI=1S/C15H9F2NO3/c1-2-7-3-8(19)6-12-14(7)21-15(18-12)13-10(16)4-9(20)5-11(13)17/h2-6,19-20H,1H2
InChIKeyQQYOOMZAIWLSOT-UHFFFAOYSA-N
XLogP3.83
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol?
The IUPAC name of 2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol (CID 135545359) is 2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol is C=Cc1cc(O)cc2nc(-c3c(F)cc(O)cc3F)oc12.
What is the InChIKey of 2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol?
The InChIKey is QQYOOMZAIWLSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO3/c1-2-7-3-8(19)6-12-14(7)21-15(18-12)13-10(16)4-9(20)5-11(13)17/h2-6,19-20H,1H2.
What are the key properties of 2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol?
2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol has a molecular weight of 289.24 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-4-hydroxyphenyl)-7-ethenyl-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135545359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).