2-[4-(trifluoromethoxy)phenyl]phenol

C13H9F3O2 — CID 23225048

IUPAC2-[4-(trifluoromethoxy)phenyl]phenol
SMILESOc1ccccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H9F3O2/c14-13(15,16)18-10-7-5-9(6-8-10)11-3-1-2-4-12(11)17/h1-8,17H
InChIKeyZEZXSNOQLCKMNC-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.96
Rot. Bonds2

About 2-[4-(trifluoromethoxy)phenyl]phenol

2-[4-(trifluoromethoxy)phenyl]phenol (PubChem CID 23225048) has the molecular formula C13H9F3O2 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]phenol.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]phenol
PubChem CID23225048
Molecular FormulaC13H9F3O2
Molecular Weight254.21 g/mol
Exact Mass254.06
IUPAC Name2-[4-(trifluoromethoxy)phenyl]phenol
SMILESOc1ccccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H9F3O2/c14-13(15,16)18-10-7-5-9(6-8-10)11-3-1-2-4-12(11)17/h1-8,17H
InChIKeyZEZXSNOQLCKMNC-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol
CID 134630076
1,2-difluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 118854668
4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 165416807
3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol
CID 145313600
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
2-[4-[4-(2-hydroxyphenyl)phenyl]phenyl]phenol
CID 122655811
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
CID 102334535
2-[4-(trifluoromethoxy)phenoxy]phenol
CID 19755907
5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
CID 171115606
trifluoromethoxybenzene
CID 157402708
2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 103694068

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]phenol?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]phenol (CID 23225048) is 2-[4-(trifluoromethoxy)phenyl]phenol.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]phenol?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]phenol is Oc1ccccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]phenol?
The InChIKey is ZEZXSNOQLCKMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O2/c14-13(15,16)18-10-7-5-9(6-8-10)11-3-1-2-4-12(11)17/h1-8,17H.
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]phenol?
2-[4-(trifluoromethoxy)phenyl]phenol has a molecular weight of 254.21 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]phenol is sourced from PubChem (CID 23225048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).