3-[3-(trifluoromethyl)phenoxy]phenol

C13H9F3O2 — CID 15667768

IUPAC3-[3-(trifluoromethyl)phenoxy]phenol
SMILESOc1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H9F3O2/c14-13(15,16)9-3-1-5-11(7-9)18-12-6-2-4-10(17)8-12/h1-8,17H
InChIKeyUZERTXHRRIKXHH-UHFFFAOYSA-N
MW254.21 g/mol
LogP4.20
Rot. Bonds2

About 3-[3-(trifluoromethyl)phenoxy]phenol

3-[3-(trifluoromethyl)phenoxy]phenol (PubChem CID 15667768) has the molecular formula C13H9F3O2 and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenoxy]phenol.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenoxy]phenol
PubChem CID15667768
Molecular FormulaC13H9F3O2
Molecular Weight254.21 g/mol
Exact Mass254.06
IUPAC Name3-[3-(trifluoromethyl)phenoxy]phenol
SMILESOc1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H9F3O2/c14-13(15,16)9-3-1-5-11(7-9)18-12-6-2-4-10(17)8-12/h1-8,17H
InChIKeyUZERTXHRRIKXHH-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

Analyze 3-[3-(trifluoromethyl)phenoxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(trifluoromethyl)phenol;hydrochloride
CID 175833042
4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol
CID 54042030
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
3-phenoxy-5-(trifluoromethyl)phenol
CID 66883076
CID 71146552
CID 71146552
[4-[3-(trifluoromethyl)phenoxy]phenoxy]boronic acid
CID 142798495
3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol
CID 54570273
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol
CID 14878507
2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221115
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenoxy]phenol?
The IUPAC name of 3-[3-(trifluoromethyl)phenoxy]phenol (CID 15667768) is 3-[3-(trifluoromethyl)phenoxy]phenol.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenoxy]phenol?
The canonical SMILES for 3-[3-(trifluoromethyl)phenoxy]phenol is Oc1cccc(Oc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenoxy]phenol?
The InChIKey is UZERTXHRRIKXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O2/c14-13(15,16)9-3-1-5-11(7-9)18-12-6-2-4-10(17)8-12/h1-8,17H.
What are the key properties of 3-[3-(trifluoromethyl)phenoxy]phenol?
3-[3-(trifluoromethyl)phenoxy]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-[3-(trifluoromethyl)phenoxy]phenol is sourced from PubChem (CID 15667768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).