1-(2-tert-butylphenyl)pyrrole-2,5-diol

C14H17NO2 — CID 90922955

IUPAC1-(2-tert-butylphenyl)pyrrole-2,5-diol
SMILESCC(C)(C)c1ccccc1-n1c(O)ccc1O
InChIInChI=1S/C14H17NO2/c1-14(2,3)10-6-4-5-7-11(10)15-12(16)8-9-13(15)17/h4-9,16-17H,1-3H3
InChIKeyXXRSYNBUUSJMOT-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.19
Rot. Bonds1

About 1-(2-tert-butylphenyl)pyrrole-2,5-diol

1-(2-tert-butylphenyl)pyrrole-2,5-diol (PubChem CID 90922955) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)pyrrole-2,5-diol
PubChem CID90922955
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(2-tert-butylphenyl)pyrrole-2,5-diol
SMILESCC(C)(C)c1ccccc1-n1c(O)ccc1O
InChIInChI=1S/C14H17NO2/c1-14(2,3)10-6-4-5-7-11(10)15-12(16)8-9-13(15)17/h4-9,16-17H,1-3H3
InChIKeyXXRSYNBUUSJMOT-UHFFFAOYSA-N
XLogP3.19
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 171384576
1-Naphthalen-1-ylpyrrole-2,5-diol
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1-Methyl-3-phenylpyrrole-2,5-diol
CID 53881854
3-phenyl-1H-pyrrole-2,5-diol
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1-(4-Methylphenyl)pyrrole-2,5-diol
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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)pyrrole-2,5-diol?
The IUPAC name of 1-(2-tert-butylphenyl)pyrrole-2,5-diol (CID 90922955) is 1-(2-tert-butylphenyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(2-tert-butylphenyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(2-tert-butylphenyl)pyrrole-2,5-diol is CC(C)(C)c1ccccc1-n1c(O)ccc1O.
What is the InChIKey of 1-(2-tert-butylphenyl)pyrrole-2,5-diol?
The InChIKey is XXRSYNBUUSJMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2,3)10-6-4-5-7-11(10)15-12(16)8-9-13(15)17/h4-9,16-17H,1-3H3.
What are the key properties of 1-(2-tert-butylphenyl)pyrrole-2,5-diol?
1-(2-tert-butylphenyl)pyrrole-2,5-diol has a molecular weight of 231.29 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)pyrrole-2,5-diol is sourced from PubChem (CID 90922955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).