3-(4-propan-2-yloxyphenyl)-1H-pyrrole-2,5-diol

C13H15NO3 — CID 91367594

IUPAC3-(4-propan-2-yloxyphenyl)-1H-pyrrole-2,5-diol
SMILESCC(C)Oc1ccc(-c2cc(O)[nH]c2O)cc1
InChIInChI=1S/C13H15NO3/c1-8(2)17-10-5-3-9(4-6-10)11-7-12(15)14-13(11)16/h3-8,14-16H,1-2H3
InChIKeyIRMVFCQOWTVOTM-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.88
Rot. Bonds3

About 3-(4-propan-2-yloxyphenyl)-1H-pyrrole-2,5-diol

3-(4-propan-2-yloxyphenyl)-1H-pyrrole-2,5-diol (PubChem CID 91367594) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(4-propan-2-yloxyphenyl)-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3-(4-propan-2-yloxyphenyl)-1H-pyrrole-2,5-diol
PubChem CID91367594
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(4-propan-2-yloxyphenyl)-1H-pyrrole-2,5-diol
SMILESCC(C)Oc1ccc(-c2cc(O)[nH]c2O)cc1
InChIInChI=1S/C13H15NO3/c1-8(2)17-10-5-3-9(4-6-10)11-7-12(15)14-13(11)16/h3-8,14-16H,1-2H3
InChIKeyIRMVFCQOWTVOTM-UHFFFAOYSA-N
XLogP2.88
TPSA65.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yloxyphenyl)-1H-pyrrole-2,5-diol?
The IUPAC name of 3-(4-propan-2-yloxyphenyl)-1H-pyrrole-2,5-diol (CID 91367594) is 3-(4-propan-2-yloxyphenyl)-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3-(4-propan-2-yloxyphenyl)-1H-pyrrole-2,5-diol?
The canonical SMILES for 3-(4-propan-2-yloxyphenyl)-1H-pyrrole-2,5-diol is CC(C)Oc1ccc(-c2cc(O)[nH]c2O)cc1.
What is the InChIKey of 3-(4-propan-2-yloxyphenyl)-1H-pyrrole-2,5-diol?
The InChIKey is IRMVFCQOWTVOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8(2)17-10-5-3-9(4-6-10)11-7-12(15)14-13(11)16/h3-8,14-16H,1-2H3.
What are the key properties of 3-(4-propan-2-yloxyphenyl)-1H-pyrrole-2,5-diol?
3-(4-propan-2-yloxyphenyl)-1H-pyrrole-2,5-diol has a molecular weight of 233.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yloxyphenyl)-1H-pyrrole-2,5-diol is sourced from PubChem (CID 91367594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).