3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol

C14H15NO3 — CID 91041182

IUPAC3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol
SMILESCC(C)=Cc1c(O)[nH]c(O)c1-c1ccc(O)cc1
InChIInChI=1S/C14H15NO3/c1-8(2)7-11-12(14(18)15-13(11)17)9-3-5-10(16)6-4-9/h3-7,15-18H,1-2H3
InChIKeyUUZATVWNLULQMK-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.22
Rot. Bonds2

About 3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol

3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol (PubChem CID 91041182) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol
PubChem CID91041182
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol
SMILESCC(C)=Cc1c(O)[nH]c(O)c1-c1ccc(O)cc1
InChIInChI=1S/C14H15NO3/c1-8(2)7-11-12(14(18)15-13(11)17)9-3-5-10(16)6-4-9/h3-7,15-18H,1-2H3
InChIKeyUUZATVWNLULQMK-UHFFFAOYSA-N
XLogP3.22
TPSA76.48 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol?
The IUPAC name of 3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol (CID 91041182) is 3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol?
The canonical SMILES for 3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol is CC(C)=Cc1c(O)[nH]c(O)c1-c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol?
The InChIKey is UUZATVWNLULQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8(2)7-11-12(14(18)15-13(11)17)9-3-5-10(16)6-4-9/h3-7,15-18H,1-2H3.
What are the key properties of 3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol?
3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol has a molecular weight of 245.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-4-(2-methylprop-1-enyl)-1H-pyrrole-2,5-diol is sourced from PubChem (CID 91041182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).