2-[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol

C16H20FNO — CID 146283850

IUPAC2-[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol
SMILESCc1cc(F)cc(C(C)(C)O)c1-n1c(C)ccc1C
InChIInChI=1S/C16H20FNO/c1-10-8-13(17)9-14(16(4,5)19)15(10)18-11(2)6-7-12(18)3/h6-9,19H,1-5H3
InChIKeyFOYGQYPITXUHQN-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.77
Rot. Bonds2

About 2-[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol

2-[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol (PubChem CID 146283850) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol
PubChem CID146283850
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name2-[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol
SMILESCc1cc(F)cc(C(C)(C)O)c1-n1c(C)ccc1C
InChIInChI=1S/C16H20FNO/c1-10-8-13(17)9-14(16(4,5)19)15(10)18-11(2)6-7-12(18)3/h6-9,19H,1-5H3
InChIKeyFOYGQYPITXUHQN-UHFFFAOYSA-N
XLogP3.77
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.77
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 2-[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol?
The IUPAC name of 2-[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol (CID 146283850) is 2-[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol.
What is the SMILES notation for 2-[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol?
The canonical SMILES for 2-[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol is Cc1cc(F)cc(C(C)(C)O)c1-n1c(C)ccc1C.
What is the InChIKey of 2-[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol?
The InChIKey is FOYGQYPITXUHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-10-8-13(17)9-14(16(4,5)19)15(10)18-11(2)6-7-12(18)3/h6-9,19H,1-5H3.
What are the key properties of 2-[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol?
2-[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol has a molecular weight of 261.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-3-methylphenyl]propan-2-ol is sourced from PubChem (CID 146283850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).