1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pentyl]-4-methylpyrrole-2,5-diol

C23H24F3NO4 — CID 90884519

IUPAC1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pentyl]-4-methylpyrrole-2,5-diol
SMILESCCC(CC(c1ccc(O)cc1)c1c(C)c(O)n(-c2ccc(O)cc2)c1O)C(F)(F)F
InChIInChI=1S/C23H24F3NO4/c1-3-15(23(24,25)26)12-19(14-4-8-17(28)9-5-14)20-13(2)21(30)27(22(20)31)16-6-10-18(29)11-7-16/h4-11,15,19,28-31H,3,12H2,1-2H3
InChIKeyRNZOHCGVTOQVFM-UHFFFAOYSA-N
MW435.44 g/mol
LogP5.72
Rot. Bonds6

About 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pentyl]-4-methylpyrrole-2,5-diol

1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pentyl]-4-methylpyrrole-2,5-diol (PubChem CID 90884519) has the molecular formula C23H24F3NO4 and a molecular weight of 435.44 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pentyl]-4-methylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pentyl]-4-methylpyrrole-2,5-diol
PubChem CID90884519
Molecular FormulaC23H24F3NO4
Molecular Weight435.44 g/mol
Exact Mass435.17
IUPAC Name1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pentyl]-4-methylpyrrole-2,5-diol
SMILESCCC(CC(c1ccc(O)cc1)c1c(C)c(O)n(-c2ccc(O)cc2)c1O)C(F)(F)F
InChIInChI=1S/C23H24F3NO4/c1-3-15(23(24,25)26)12-19(14-4-8-17(28)9-5-14)20-13(2)21(30)27(22(20)31)16-6-10-18(29)11-7-16/h4-11,15,19,28-31H,3,12H2,1-2H3
InChIKeyRNZOHCGVTOQVFM-UHFFFAOYSA-N
XLogP5.72
TPSA85.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.44
LogP ≤ 55.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-Fluoro-4-[5-(2-fluoro-4-hydroxyphenyl)-4-(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
CID 71459076
4-[4,5-Bis(2-fluoro-4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71460882
4-[3,5-Bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol
CID 71453711
3-Fluoro-4-[5-(2-fluoro-4-hydroxyphenyl)-4-(4-hydroxyphenyl)-1-methylpyrrol-2-yl]phenol
CID 71457268
4-[4,5-Bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol
CID 71462585
4-[2-Ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol
CID 11132007
4-(2,5-diphenyl-1H-pyrrol-1-yl)phenol
CID 1775133
4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)phenol
CID 3029922
2-(2-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123175013
2-(4-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123536853
1-Hydroxy-3-(4-hydroxyphenyl)-4-(2-methylpropyl)pyrrole-2,5-diol
CID 90945782
4-[5-Methyl-1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]phenol
CID 22387488

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pentyl]-4-methylpyrrole-2,5-diol?
The IUPAC name of 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pentyl]-4-methylpyrrole-2,5-diol (CID 90884519) is 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pentyl]-4-methylpyrrole-2,5-diol.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pentyl]-4-methylpyrrole-2,5-diol?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pentyl]-4-methylpyrrole-2,5-diol is CCC(CC(c1ccc(O)cc1)c1c(C)c(O)n(-c2ccc(O)cc2)c1O)C(F)(F)F.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pentyl]-4-methylpyrrole-2,5-diol?
The InChIKey is RNZOHCGVTOQVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO4/c1-3-15(23(24,25)26)12-19(14-4-8-17(28)9-5-14)20-13(2)21(30)27(22(20)31)16-6-10-18(29)11-7-16/h4-11,15,19,28-31H,3,12H2,1-2H3.
What are the key properties of 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pentyl]-4-methylpyrrole-2,5-diol?
1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pentyl]-4-methylpyrrole-2,5-diol has a molecular weight of 435.44 g/mol, XLogP of 5.72, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pentyl]-4-methylpyrrole-2,5-diol is sourced from PubChem (CID 90884519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).