[3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol

C20H20FNO — CID 14770459

IUPAC[3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol
SMILESCC(C)n1c(-c2ccccc2)cc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C20H20FNO/c1-14(2)22-19(16-6-4-3-5-7-16)12-18(20(22)13-23)15-8-10-17(21)11-9-15/h3-12,14,23H,13H2,1-2H3
InChIKeyGORCVUKAEZIPBX-UHFFFAOYSA-N
MW309.38 g/mol
LogP5.03
Rot. Bonds4

About [3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol

[3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol (PubChem CID 14770459) has the molecular formula C20H20FNO and a molecular weight of 309.38 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol
PubChem CID14770459
Molecular FormulaC20H20FNO
Molecular Weight309.38 g/mol
Exact Mass309.15
IUPAC Name[3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol
SMILESCC(C)n1c(-c2ccccc2)cc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C20H20FNO/c1-14(2)22-19(16-6-4-3-5-7-16)12-18(20(22)13-23)15-8-10-17(21)11-9-15/h3-12,14,23H,13H2,1-2H3
InChIKeyGORCVUKAEZIPBX-UHFFFAOYSA-N
XLogP5.03
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.38
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol?
The IUPAC name of [3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol (CID 14770459) is [3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol is CC(C)n1c(-c2ccccc2)cc(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol?
The InChIKey is GORCVUKAEZIPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO/c1-14(2)22-19(16-6-4-3-5-7-16)12-18(20(22)13-23)15-8-10-17(21)11-9-15/h3-12,14,23H,13H2,1-2H3.
What are the key properties of [3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol?
[3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol has a molecular weight of 309.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-5-phenyl-1-propan-2-ylpyrrol-2-yl]methanol is sourced from PubChem (CID 14770459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).