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

C122H109F9O12 — CID 159225737

IUPAC4-[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
SMILESCC(C)(C)c1cc(C(c2ccccc2)(c2ccc(O)c(C(C)(C)C)c2)C(F)(F)F)ccc1O.CC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)C(F)(F)F)cc1.Oc1ccc(C(c2ccccc2)(c2ccc(O)cc2)C(F)(F)F)cc1.Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C29H28O3.C28H31F3O2.C25H20O2.C20H15F3O3.C20H15F3O2/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24;1-25(2,3)21-16-19(12-14-23(21)32)27(28(29,30)31,18-10-8-7-9-11-18)20-13-15-24(33)22(17-20)26(4,5)6;26-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(27)18-14-22;21-20(22,23)19(13-1-7-16(24)8-2-13,14-3-9-17(25)10-4-14)15-5-11-18(26)12-6-15;21-20(22,23)19(14-4-2-1-3-5-14,15-6-10-17(24)11-7-15)16-8-12-18(25)13-9-16/h4-19,30-32H,1-3H3;7-17,32-33H,1-6H3;1-18,26-27H;1-12,24-26H;1-13,24-25H
InChIKeyKSGKOLDVUSPOMG-UHFFFAOYSA-N
MW1938.18 g/mol
LogP29.25
Rot. Bonds18

About 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

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 (PubChem CID 159225737) has the molecular formula C122H109F9O12 and a molecular weight of 1938.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID159225737
Molecular FormulaC122H109F9O12
Molecular Weight1938.18 g/mol
Exact Mass1936.78
IUPAC Name4-[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
SMILESCC(C)(C)c1cc(C(c2ccccc2)(c2ccc(O)c(C(C)(C)C)c2)C(F)(F)F)ccc1O.CC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)C(F)(F)F)cc1.Oc1ccc(C(c2ccccc2)(c2ccc(O)cc2)C(F)(F)F)cc1.Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C29H28O3.C28H31F3O2.C25H20O2.C20H15F3O3.C20H15F3O2/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24;1-25(2,3)21-16-19(12-14-23(21)32)27(28(29,30)31,18-10-8-7-9-11-18)20-13-15-24(33)22(17-20)26(4,5)6;26-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(27)18-14-22;21-20(22,23)19(13-1-7-16(24)8-2-13,14-3-9-17(25)10-4-14)15-5-11-18(26)12-6-15;21-20(22,23)19(14-4-2-1-3-5-14,15-6-10-17(24)11-7-15)16-8-12-18(25)13-9-16/h4-19,30-32H,1-3H3;7-17,32-33H,1-6H3;1-18,26-27H;1-12,24-26H;1-13,24-25H
InChIKeyKSGKOLDVUSPOMG-UHFFFAOYSA-N
XLogP29.25
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001938.18
LogP ≤ 529.25
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc(C(c2ccccc2)(c2ccc(O)c(C(C)(C)C)c2)C(F)(F)F)ccc1O.CC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)C(F)(F)F)cc1.Oc1ccc(C(c2ccccc2)(c2ccc(O)cc2)C(F)(F)F)cc1.Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is KSGKOLDVUSPOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O3.C28H31F3O2.C25H20O2.C20H15F3O3.C20H15F3O2/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24;1-25(2,3)21-16-19(12-14-23(21)32)27(28(29,30)31,18-10-8-7-9-11-18)20-13-15-24(33)22(17-20)26(4,5)6;26-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(27)18-14-22;21-20(22,23)19(13-1-7-16(24)8-2-13,14-3-9-17(25)10-4-14)15-5-11-18(26)12-6-15;21-20(22,23)19(14-4-2-1-3-5-14,15-6-10-17(24)11-7-15)16-8-12-18(25)13-9-16/h4-19,30-32H,1-3H3;7-17,32-33H,1-6H3;1-18,26-27H;1-12,24-26H;1-13,24-25H.
What are the key properties of 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?
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 has a molecular weight of 1938.18 g/mol, XLogP of 29.25, 18 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159225737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).