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

C30H32F6O4 — CID 126486207

IUPAC4-[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
SMILESCC(C)(c1ccc(C(C)(C)c2ccc(O)c(C(C)(O)C(F)(F)F)c2)cc1)c1ccc(O)c(C(C)(O)C(F)(F)F)c1
InChIInChI=1S/C30H32F6O4/c1-25(2,19-11-13-23(37)21(15-19)27(5,39)29(31,32)33)17-7-9-18(10-8-17)26(3,4)20-12-14-24(38)22(16-20)28(6,40)30(34,35)36/h7-16,37-40H,1-6H3
InChIKeyOUWCCUNHTOPOAY-UHFFFAOYSA-N
MW570.57 g/mol
LogP7.29
Rot. Bonds6

About 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

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 (PubChem CID 126486207) has the molecular formula C30H32F6O4 and a molecular weight of 570.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID126486207
Molecular FormulaC30H32F6O4
Molecular Weight570.57 g/mol
Exact Mass570.22
IUPAC Name4-[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
SMILESCC(C)(c1ccc(C(C)(C)c2ccc(O)c(C(C)(O)C(F)(F)F)c2)cc1)c1ccc(O)c(C(C)(O)C(F)(F)F)c1
InChIInChI=1S/C30H32F6O4/c1-25(2,19-11-13-23(37)21(15-19)27(5,39)29(31,32)33)17-7-9-18(10-8-17)26(3,4)20-12-14-24(38)22(16-20)28(6,40)30(34,35)36/h7-16,37-40H,1-6H3
InChIKeyOUWCCUNHTOPOAY-UHFFFAOYSA-N
XLogP7.29
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.57
LogP ≤ 57.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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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
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]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
CID 126486197
4-tert-butyl-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
CID 142766512
2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol
CID 126486236
4-tert-butyl-2-(trifluoromethyl)phenol
CID 12652102
1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23528246
4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol
CID 70581973
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 58983865
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994
4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol
CID 125479229
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(c1ccc(C(C)(C)c2ccc(O)c(C(C)(O)C(F)(F)F)c2)cc1)c1ccc(O)c(C(C)(O)C(F)(F)F)c1.
What is the InChIKey of 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?
The InChIKey is OUWCCUNHTOPOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F6O4/c1-25(2,19-11-13-23(37)21(15-19)27(5,39)29(31,32)33)17-7-9-18(10-8-17)26(3,4)20-12-14-24(38)22(16-20)28(6,40)30(34,35)36/h7-16,37-40H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 570.57 g/mol, XLogP of 7.29, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126486207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).