1-(4-fluorophenyl)-3-methylpyrrole-2,5-diol

C11H10FNO2 — CID 91421327

IUPAC1-(4-fluorophenyl)-3-methylpyrrole-2,5-diol
SMILESCc1cc(O)n(-c2ccc(F)cc2)c1O
InChIInChI=1S/C11H10FNO2/c1-7-6-10(14)13(11(7)15)9-4-2-8(12)3-5-9/h2-6,14-15H,1H3
InChIKeyLEUOFYPEZZBJFA-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.34
Rot. Bonds1

About 1-(4-fluorophenyl)-3-methylpyrrole-2,5-diol

1-(4-fluorophenyl)-3-methylpyrrole-2,5-diol (PubChem CID 91421327) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methylpyrrole-2,5-diol
PubChem CID91421327
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name1-(4-fluorophenyl)-3-methylpyrrole-2,5-diol
SMILESCc1cc(O)n(-c2ccc(F)cc2)c1O
InChIInChI=1S/C11H10FNO2/c1-7-6-10(14)13(11(7)15)9-4-2-8(12)3-5-9/h2-6,14-15H,1H3
InChIKeyLEUOFYPEZZBJFA-UHFFFAOYSA-N
XLogP2.34
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenol
CID 1283353
3-(Fluoromethyl)-1-(5-fluoro-2-methylphenyl)pyrrole-2,5-diol
CID 53787699
1-Methyl-3-phenylpyrrole-2,5-diol
CID 53881854
2-(2-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123175013
2-(4-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123536853
1-(4-Chlorophenyl)-3-(iodomethyl)pyrrole-2,5-diol
CID 53787002
1-(2-Chlorophenyl)pyrrole-2,5-diol
CID 54181433
1-(3-Chlorophenyl)pyrrole-2,5-diol
CID 54359620
1-(4-Nitrophenyl)pyrrole-2,5-diol
CID 90748721
1-(4-Methylphenyl)pyrrole-2,5-diol
CID 90898575
1-(2-Tert-butylphenyl)pyrrole-2,5-diol
CID 90922955
1-(3-Methylphenyl)pyrrole-2,5-diol
CID 91072733

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methylpyrrole-2,5-diol?
The IUPAC name of 1-(4-fluorophenyl)-3-methylpyrrole-2,5-diol (CID 91421327) is 1-(4-fluorophenyl)-3-methylpyrrole-2,5-diol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methylpyrrole-2,5-diol?
The canonical SMILES for 1-(4-fluorophenyl)-3-methylpyrrole-2,5-diol is Cc1cc(O)n(-c2ccc(F)cc2)c1O.
What is the InChIKey of 1-(4-fluorophenyl)-3-methylpyrrole-2,5-diol?
The InChIKey is LEUOFYPEZZBJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-7-6-10(14)13(11(7)15)9-4-2-8(12)3-5-9/h2-6,14-15H,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-methylpyrrole-2,5-diol?
1-(4-fluorophenyl)-3-methylpyrrole-2,5-diol has a molecular weight of 207.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methylpyrrole-2,5-diol is sourced from PubChem (CID 91421327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).