1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-diol

C12H12FNO2 — CID 90738632

IUPAC1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1CCc1ccc(F)cc1
InChIInChI=1S/C12H12FNO2/c13-10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-6,15-16H,7-8H2
InChIKeyWETFRCDVVIEBAQ-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.28
Rot. Bonds3

About 1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-diol

1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-diol (PubChem CID 90738632) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-diol
PubChem CID90738632
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1CCc1ccc(F)cc1
InChIInChI=1S/C12H12FNO2/c13-10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-6,15-16H,7-8H2
InChIKeyWETFRCDVVIEBAQ-UHFFFAOYSA-N
XLogP2.28
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-diol?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-diol (CID 90738632) is 1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-diol is Oc1ccc(O)n1CCc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-diol?
The InChIKey is WETFRCDVVIEBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c13-10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-6,15-16H,7-8H2.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-diol?
1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-diol has a molecular weight of 221.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-diol is sourced from PubChem (CID 90738632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).