4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol

C19H13F3O — CID 142750929

IUPAC4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
SMILESOc1ccc(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C19H13F3O/c20-19(21,22)17-3-1-2-16(12-17)15-6-4-13(5-7-15)14-8-10-18(23)11-9-14/h1-12,23H
InChIKeyZKEPKDMHJCUPKW-UHFFFAOYSA-N
MW314.31 g/mol
LogP5.74
Rot. Bonds2

About 4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol

4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol (PubChem CID 142750929) has the molecular formula C19H13F3O and a molecular weight of 314.31 g/mol. Its IUPAC name is 4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
PubChem CID142750929
Molecular FormulaC19H13F3O
Molecular Weight314.31 g/mol
Exact Mass314.09
IUPAC Name4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
SMILESOc1ccc(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C19H13F3O/c20-19(21,22)17-3-1-2-16(12-17)15-6-4-13(5-7-15)14-8-10-18(23)11-9-14/h1-12,23H
InChIKeyZKEPKDMHJCUPKW-UHFFFAOYSA-N
XLogP5.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.31
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90174149
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
CID 131866586
CID 131866586
2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 10683160
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90171711
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
4-[3-[3-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 10496132
3-(trifluoromethyl)phenol;hydrochloride
CID 175833042
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol
CID 134627781
sodium 4-[3-(trifluoromethyl)phenyl]benzenesulfonate
CID 46741398

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol?
The IUPAC name of 4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol (CID 142750929) is 4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol.
What is the SMILES notation for 4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol?
The canonical SMILES for 4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol is Oc1ccc(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1.
What is the InChIKey of 4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol?
The InChIKey is ZKEPKDMHJCUPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3O/c20-19(21,22)17-3-1-2-16(12-17)15-6-4-13(5-7-15)14-8-10-18(23)11-9-14/h1-12,23H.
What are the key properties of 4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol?
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol has a molecular weight of 314.31 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol is sourced from PubChem (CID 142750929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).