3-phenoxy-5-(trifluoromethyl)phenol

C13H9F3O2 — CID 66883076

IUPAC3-phenoxy-5-(trifluoromethyl)phenol
SMILESOc1cc(Oc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3O2/c14-13(15,16)9-6-10(17)8-12(7-9)18-11-4-2-1-3-5-11/h1-8,17H
InChIKeySKZINRZWUSJAGE-UHFFFAOYSA-N
MW254.21 g/mol
LogP4.20
Rot. Bonds2

About 3-phenoxy-5-(trifluoromethyl)phenol

3-phenoxy-5-(trifluoromethyl)phenol (PubChem CID 66883076) has the molecular formula C13H9F3O2 and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-phenoxy-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-phenoxy-5-(trifluoromethyl)phenol
PubChem CID66883076
Molecular FormulaC13H9F3O2
Molecular Weight254.21 g/mol
Exact Mass254.06
IUPAC Name3-phenoxy-5-(trifluoromethyl)phenol
SMILESOc1cc(Oc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3O2/c14-13(15,16)9-6-10(17)8-12(7-9)18-11-4-2-1-3-5-11/h1-8,17H
InChIKeySKZINRZWUSJAGE-UHFFFAOYSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
5-phenoxybenzene-1,2,3-triol
CID 14020516
CID 151907169
CID 151907169
phenoxybenzene;propane-2,2-diol
CID 174556232
1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 91805474
3-propoxy-5-(trifluoromethyl)phenol
CID 118342805
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol
CID 167499349
4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol
CID 21466174
1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol
CID 13463093
CID 71146552
CID 71146552
1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene
CID 90892102

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-5-(trifluoromethyl)phenol?
The IUPAC name of 3-phenoxy-5-(trifluoromethyl)phenol (CID 66883076) is 3-phenoxy-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-phenoxy-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-phenoxy-5-(trifluoromethyl)phenol is Oc1cc(Oc2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-phenoxy-5-(trifluoromethyl)phenol?
The InChIKey is SKZINRZWUSJAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O2/c14-13(15,16)9-6-10(17)8-12(7-9)18-11-4-2-1-3-5-11/h1-8,17H.
What are the key properties of 3-phenoxy-5-(trifluoromethyl)phenol?
3-phenoxy-5-(trifluoromethyl)phenol has a molecular weight of 254.21 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-5-(trifluoromethyl)phenol is sourced from PubChem (CID 66883076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).