3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol

C13H9F3O3 — CID 53221920

IUPAC3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
SMILESOc1cccc(-c2cc(O)cc(OC(F)(F)F)c2)c1
InChIInChI=1S/C13H9F3O3/c14-13(15,16)19-12-6-9(5-11(18)7-12)8-2-1-3-10(17)4-8/h1-7,17-18H
InChIKeyIGKVGARVUKQSFC-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.66
Rot. Bonds2

About 3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol

3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol (PubChem CID 53221920) has the molecular formula C13H9F3O3 and a molecular weight of 270.21 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
PubChem CID53221920
Molecular FormulaC13H9F3O3
Molecular Weight270.21 g/mol
Exact Mass270.05
IUPAC Name3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
SMILESOc1cccc(-c2cc(O)cc(OC(F)(F)F)c2)c1
InChIInChI=1S/C13H9F3O3/c14-13(15,16)19-12-6-9(5-11(18)7-12)8-2-1-3-10(17)4-8/h1-7,17-18H
InChIKeyIGKVGARVUKQSFC-UHFFFAOYSA-N
XLogP3.66
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminophenyl)-5-(trifluoromethoxy)phenol
CID 53221916
3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde
CID 53221935
ethane;3-(trifluoromethoxy)phenol
CID 143201974
3-(4-tert-butylphenyl)-5-(trifluoromethoxy)phenol
CID 53222073
3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221967
3-(4-fluoro-3-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221969
3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol
CID 53222067
4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
CID 53222015
3-(2-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221910
2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
CID 53222099
3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol
CID 54570273
2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide
CID 53222149

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol?
The IUPAC name of 3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol (CID 53221920) is 3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol.
What is the SMILES notation for 3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol?
The canonical SMILES for 3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol is Oc1cccc(-c2cc(O)cc(OC(F)(F)F)c2)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol?
The InChIKey is IGKVGARVUKQSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O3/c14-13(15,16)19-12-6-9(5-11(18)7-12)8-2-1-3-10(17)4-8/h1-7,17-18H.
What are the key properties of 3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol?
3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol has a molecular weight of 270.21 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol is sourced from PubChem (CID 53221920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).