4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol

C85H88F12O19S2 — CID 157293907

IUPAC4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
SMILESCC(C)(O)c1cc(Oc2ccc(O)c(C(C)(O)C(F)(F)F)c2)ccc1O.CC(C)(O)c1cc(Oc2ccc(O)cc2)ccc1O.CC(C)(O)c1cc(Sc2ccc(O)c(C(C)(O)C(F)(F)F)c2)ccc1O.CC(C)(O)c1cc(Sc2ccc(O)cc2)ccc1O.Cc1ccc(-c2ccc(O)c(C(C)(O)C(F)(F)F)c2)cc1C(C)(O)C(F)(F)F
InChIInChI=1S/C19H18F6O3.C18H19F3O5.C18H19F3O4S.C15H16O4.C15H16O3S/c1-10-4-5-11(8-13(10)16(2,27)18(20,21)22)12-6-7-15(26)14(9-12)17(3,28)19(23,24)25;2*1-16(2,24)12-8-10(4-6-14(12)22)26-11-5-7-15(23)13(9-11)17(3,25)18(19,20)21;2*1-15(2,18)13-9-12(7-8-14(13)17)19-11-5-3-10(16)4-6-11/h4-9,26-28H,1-3H3;2*4-9,22-25H,1-3H3;2*3-9,16-18H,1-2H3
InChIKeyBBCSMFDSCJBRQB-UHFFFAOYSA-N
MW1705.73 g/mol
LogP19.63
Rot. Bonds17

About 4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol

4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol (PubChem CID 157293907) has the molecular formula C85H88F12O19S2 and a molecular weight of 1705.73 g/mol. Its IUPAC name is 4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
PubChem CID157293907
Molecular FormulaC85H88F12O19S2
Molecular Weight1705.73 g/mol
Exact Mass1704.52
IUPAC Name4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
SMILESCC(C)(O)c1cc(Oc2ccc(O)c(C(C)(O)C(F)(F)F)c2)ccc1O.CC(C)(O)c1cc(Oc2ccc(O)cc2)ccc1O.CC(C)(O)c1cc(Sc2ccc(O)c(C(C)(O)C(F)(F)F)c2)ccc1O.CC(C)(O)c1cc(Sc2ccc(O)cc2)ccc1O.Cc1ccc(-c2ccc(O)c(C(C)(O)C(F)(F)F)c2)cc1C(C)(O)C(F)(F)F
InChIInChI=1S/C19H18F6O3.C18H19F3O5.C18H19F3O4S.C15H16O4.C15H16O3S/c1-10-4-5-11(8-13(10)16(2,27)18(20,21)22)12-6-7-15(26)14(9-12)17(3,28)19(23,24)25;2*1-16(2,24)12-8-10(4-6-14(12)22)26-11-5-7-15(23)13(9-11)17(3,25)18(19,20)21;2*1-15(2,18)13-9-12(7-8-14(13)17)19-11-5-3-10(16)4-6-11/h4-9,26-28H,1-3H3;2*4-9,22-25H,1-3H3;2*3-9,16-18H,1-2H3
InChIKeyBBCSMFDSCJBRQB-UHFFFAOYSA-N
XLogP19.63
TPSA362.37 Ų
H-Bond Donors17
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms118
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001705.73
LogP ≤ 519.63
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1021

Analyze 4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol?
The IUPAC name of 4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol (CID 157293907) is 4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol?
The canonical SMILES for 4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol is CC(C)(O)c1cc(Oc2ccc(O)c(C(C)(O)C(F)(F)F)c2)ccc1O.CC(C)(O)c1cc(Oc2ccc(O)cc2)ccc1O.CC(C)(O)c1cc(Sc2ccc(O)c(C(C)(O)C(F)(F)F)c2)ccc1O.CC(C)(O)c1cc(Sc2ccc(O)cc2)ccc1O.Cc1ccc(-c2ccc(O)c(C(C)(O)C(F)(F)F)c2)cc1C(C)(O)C(F)(F)F.
What is the InChIKey of 4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol?
The InChIKey is BBCSMFDSCJBRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6O3.C18H19F3O5.C18H19F3O4S.C15H16O4.C15H16O3S/c1-10-4-5-11(8-13(10)16(2,27)18(20,21)22)12-6-7-15(26)14(9-12)17(3,28)19(23,24)25;2*1-16(2,24)12-8-10(4-6-14(12)22)26-11-5-7-15(23)13(9-11)17(3,25)18(19,20)21;2*1-15(2,18)13-9-12(7-8-14(13)17)19-11-5-3-10(16)4-6-11/h4-9,26-28H,1-3H3;2*4-9,22-25H,1-3H3;2*3-9,16-18H,1-2H3.
What are the key properties of 4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol?
4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol has a molecular weight of 1705.73 g/mol, XLogP of 19.63, 17 rotatable bonds, 17 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenoxy)-2-(2-hydroxypropan-2-yl)phenol;4-(4-hydroxyphenyl)sulfanyl-2-(2-hydroxypropan-2-yl)phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenoxy]phenol;2-(2-hydroxypropan-2-yl)-4-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenol;4-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 157293907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).