2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-6-ol

C13H8FNO3 — CID 135528621

IUPAC2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-6-ol
SMILESOc1ccc2nc(-c3ccc(O)c(F)c3)oc2c1
InChIInChI=1S/C13H8FNO3/c14-9-5-7(1-4-11(9)17)13-15-10-3-2-8(16)6-12(10)18-13/h1-6,16-17H
InChIKeyLMARQOUQPBAFEB-UHFFFAOYSA-N
MW245.21 g/mol
LogP3.05
Rot. Bonds1

About 2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-6-ol

2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-6-ol (PubChem CID 135528621) has the molecular formula C13H8FNO3 and a molecular weight of 245.21 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-6-ol
PubChem CID135528621
Molecular FormulaC13H8FNO3
Molecular Weight245.21 g/mol
Exact Mass245.05
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-6-ol
SMILESOc1ccc2nc(-c3ccc(O)c(F)c3)oc2c1
InChIInChI=1S/C13H8FNO3/c14-9-5-7(1-4-11(9)17)13-15-10-3-2-8(16)6-12(10)18-13/h1-6,16-17H
InChIKeyLMARQOUQPBAFEB-UHFFFAOYSA-N
XLogP3.05
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Prinaberel
CID 656954
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-(2-Benzoxazolyl)phenol
CID 13269
2-(5-Hydroxy-naphthalen-1-YL)-1,3-benzooxazol-6-OL
CID 4369550
4-(1,3-Benzoxazol-2-yl)-2,6-dimethylphenol
CID 135566325
4-(6-Methyl-benzooxazol-2-yl)-phenol
CID 834576
2-(6-Hydroxynaphthalen-1-yl)benzo(d)oxazol-6-ol
CID 10062042
2-(2-Adamantylidenemethyl)-1,3-benzoxazol-6-ol
CID 22733402
5-Benzoxazolol, 2-(4-hydroxyphenyl)-
CID 135405741
2-(4-Hydroxy-phenyl)-7-methoxy-benzooxazol-5-ol
CID 135409725
3-(6-Hydroxy-benzooxazol-2-yl)-benzene-1,2-diol
CID 135430305

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-6-ol?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-6-ol (CID 135528621) is 2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-6-ol is Oc1ccc2nc(-c3ccc(O)c(F)c3)oc2c1.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-6-ol?
The InChIKey is LMARQOUQPBAFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO3/c14-9-5-7(1-4-11(9)17)13-15-10-3-2-8(16)6-12(10)18-13/h1-6,16-17H.
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-6-ol?
2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-6-ol has a molecular weight of 245.21 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-6-ol is sourced from PubChem (CID 135528621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).