4-(2,5-dimethylpyrrol-1-yl)-2-fluorophenol

C12H12FNO — CID 64792616

IUPAC4-(2,5-dimethylpyrrol-1-yl)-2-fluorophenol
SMILESCc1ccc(C)n1-c1ccc(O)c(F)c1
InChIInChI=1S/C12H12FNO/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(13)7-10/h3-7,15H,1-2H3
InChIKeyKGLCJDUQWCYSJZ-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.94
Rot. Bonds1

About 4-(2,5-dimethylpyrrol-1-yl)-2-fluorophenol

4-(2,5-dimethylpyrrol-1-yl)-2-fluorophenol (PubChem CID 64792616) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-2-fluorophenol
PubChem CID64792616
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-2-fluorophenol
SMILESCc1ccc(C)n1-c1ccc(O)c(F)c1
InChIInChI=1S/C12H12FNO/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(13)7-10/h3-7,15H,1-2H3
InChIKeyKGLCJDUQWCYSJZ-UHFFFAOYSA-N
XLogP2.94
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-2-fluorophenol?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-2-fluorophenol (CID 64792616) is 4-(2,5-dimethylpyrrol-1-yl)-2-fluorophenol.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-2-fluorophenol?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-2-fluorophenol is Cc1ccc(C)n1-c1ccc(O)c(F)c1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-2-fluorophenol?
The InChIKey is KGLCJDUQWCYSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(13)7-10/h3-7,15H,1-2H3.
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-2-fluorophenol?
4-(2,5-dimethylpyrrol-1-yl)-2-fluorophenol has a molecular weight of 205.23 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-2-fluorophenol is sourced from PubChem (CID 64792616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).