4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol

C16H15F3O2 — CID 150882903

IUPAC4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol
SMILESCCC(c1ccc(O)cc1)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C16H15F3O2/c1-2-13(10-3-6-12(20)7-4-10)11-5-8-15(21)14(9-11)16(17,18)19/h3-9,13,20-21H,2H2,1H3
InChIKeyKWKALRSVIDLCMW-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.66
Rot. Bonds3

About 4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol

4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol (PubChem CID 150882903) has the molecular formula C16H15F3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol
PubChem CID150882903
Molecular FormulaC16H15F3O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol
SMILESCCC(c1ccc(O)cc1)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C16H15F3O2/c1-2-13(10-3-6-12(20)7-4-10)11-5-8-15(21)14(9-11)16(17,18)19/h3-9,13,20-21H,2H2,1H3
InChIKeyKWKALRSVIDLCMW-UHFFFAOYSA-N
XLogP4.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-hydroxyphenyl)propyl]-2-propylphenol
CID 68583785
4-(1-aminobutyl)-2-(trifluoromethyl)phenol
CID 171922232
2-[1-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol
CID 118174328
4-[1-(4-hydroxyphenyl)propyl]phenol;undecane
CID 174905836
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol
CID 143290824
2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol
CID 56611171
4-[1-(4-hydroxy-3-propan-2-ylphenyl)propyl]-2-propan-2-ylphenol
CID 19352790
ethane;4-ethyl-2-(trifluoromethyl)phenol
CID 143680036
3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid
CID 84706478
4-[[butan-2-yl(methyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82976724
2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 87504919

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol (CID 150882903) is 4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol is CCC(c1ccc(O)cc1)c1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol?
The InChIKey is KWKALRSVIDLCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2/c1-2-13(10-3-6-12(20)7-4-10)11-5-8-15(21)14(9-11)16(17,18)19/h3-9,13,20-21H,2H2,1H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol?
4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol has a molecular weight of 296.29 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 150882903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).