4-[1-(4-hydroxyphenyl)-1-phenylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol

C23H21F3O3 — CID 126486197

IUPAC4-[1-(4-hydroxyphenyl)-1-phenylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
SMILESCC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)c(C(C)(O)C(F)(F)F)c1
InChIInChI=1S/C23H21F3O3/c1-21(15-6-4-3-5-7-15,16-8-11-18(27)12-9-16)17-10-13-20(28)19(14-17)22(2,29)23(24,25)26/h3-14,27-29H,1-2H3
InChIKeyRVAJLEBSVALYKZ-UHFFFAOYSA-N
MW402.41 g/mol
LogP5.22
Rot. Bonds4

About 4-[1-(4-hydroxyphenyl)-1-phenylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol

4-[1-(4-hydroxyphenyl)-1-phenylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol (PubChem CID 126486197) has the molecular formula C23H21F3O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-1-phenylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-1-phenylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
PubChem CID126486197
Molecular FormulaC23H21F3O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC Name4-[1-(4-hydroxyphenyl)-1-phenylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
SMILESCC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)c(C(C)(O)C(F)(F)F)c1
InChIInChI=1S/C23H21F3O3/c1-21(15-6-4-3-5-7-15,16-8-11-18(27)12-9-16)17-10-13-20(28)19(14-17)22(2,29)23(24,25)26/h3-14,27-29H,1-2H3
InChIKeyRVAJLEBSVALYKZ-UHFFFAOYSA-N
XLogP5.22
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.41
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
CID 126486218
4-[2-[4-[2-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
CID 126486207
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxyphenyl)-2,2,2-trifluoro-1-phenylethyl]phenol;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol;4-[2,2,2-trifluoro-1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-phenylethyl]phenol
CID 159225737
3-[2-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-yl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
CID 126486228
[4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenyl]oxidanium
CID 144946665
2-tert-butyl-4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenol
CID 143986537
4-[1-(4-hydroxy-3-methylphenyl)-1-phenylethyl]benzene-1,3-diol
CID 139838653
4-tert-butyl-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
CID 142766512
4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol
CID 22392546
4-[difluoro(phenyl)methyl]phenol
CID 83855777
3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
[4-[1,1-bis[4-[hydroxy(diphenyl)methyl]phenyl]ethyl]phenyl]-diphenylmethanol
CID 153299511

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-1-phenylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-1-phenylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol (CID 126486197) is 4-[1-(4-hydroxyphenyl)-1-phenylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-1-phenylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-1-phenylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol is CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)c(C(C)(O)C(F)(F)F)c1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-1-phenylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol?
The InChIKey is RVAJLEBSVALYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3O3/c1-21(15-6-4-3-5-7-15,16-8-11-18(27)12-9-16)17-10-13-20(28)19(14-17)22(2,29)23(24,25)26/h3-14,27-29H,1-2H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-1-phenylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol?
4-[1-(4-hydroxyphenyl)-1-phenylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol has a molecular weight of 402.41 g/mol, XLogP of 5.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-1-phenylethyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 126486197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).