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

C20H21NO4 — CID 90855842

IUPAC1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)propyl]-4-methylpyrrole-2,5-diol
SMILESCCC(c1ccc(O)cc1)c1c(C)c(O)n(-c2ccc(O)cc2)c1O
InChIInChI=1S/C20H21NO4/c1-3-17(13-4-8-15(22)9-5-13)18-12(2)19(24)21(20(18)25)14-6-10-16(23)11-7-14/h4-11,17,22-25H,3H2,1-2H3
InChIKeyIJNDNGYTGPNTAM-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.15
Rot. Bonds4

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

1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)propyl]-4-methylpyrrole-2,5-diol (PubChem CID 90855842) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)propyl]-4-methylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)propyl]-4-methylpyrrole-2,5-diol
PubChem CID90855842
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)propyl]-4-methylpyrrole-2,5-diol
SMILESCCC(c1ccc(O)cc1)c1c(C)c(O)n(-c2ccc(O)cc2)c1O
InChIInChI=1S/C20H21NO4/c1-3-17(13-4-8-15(22)9-5-13)18-12(2)19(24)21(20(18)25)14-6-10-16(23)11-7-14/h4-11,17,22-25H,3H2,1-2H3
InChIKeyIJNDNGYTGPNTAM-UHFFFAOYSA-N
XLogP4.15
TPSA85.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)propyl]-4-methylpyrrole-2,5-diol?
The IUPAC name of 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)propyl]-4-methylpyrrole-2,5-diol (CID 90855842) is 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)propyl]-4-methylpyrrole-2,5-diol.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)propyl]-4-methylpyrrole-2,5-diol?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)propyl]-4-methylpyrrole-2,5-diol is CCC(c1ccc(O)cc1)c1c(C)c(O)n(-c2ccc(O)cc2)c1O.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)propyl]-4-methylpyrrole-2,5-diol?
The InChIKey is IJNDNGYTGPNTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-3-17(13-4-8-15(22)9-5-13)18-12(2)19(24)21(20(18)25)14-6-10-16(23)11-7-14/h4-11,17,22-25H,3H2,1-2H3.
What are the key properties of 1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)propyl]-4-methylpyrrole-2,5-diol?
1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)propyl]-4-methylpyrrole-2,5-diol has a molecular weight of 339.39 g/mol, XLogP of 4.15, 4 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)propyl]-4-methylpyrrole-2,5-diol is sourced from PubChem (CID 90855842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).