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

C21H22FNO — CID 19993749

IUPAC[4-(4-fluorophenyl)-5-methyl-1-phenyl-2-propan-2-ylpyrrol-3-yl]methanol
SMILESCc1c(-c2ccc(F)cc2)c(CO)c(C(C)C)n1-c1ccccc1
InChIInChI=1S/C21H22FNO/c1-14(2)21-19(13-24)20(16-9-11-17(22)12-10-16)15(3)23(21)18-7-5-4-6-8-18/h4-12,14,24H,13H2,1-3H3
InChIKeyIYRSIJMWVBLOCZ-UHFFFAOYSA-N
MW323.41 g/mol
LogP5.21
Rot. Bonds4

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

[4-(4-fluorophenyl)-5-methyl-1-phenyl-2-propan-2-ylpyrrol-3-yl]methanol (PubChem CID 19993749) has the molecular formula C21H22FNO and a molecular weight of 323.41 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-methyl-1-phenyl-2-propan-2-ylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-methyl-1-phenyl-2-propan-2-ylpyrrol-3-yl]methanol
PubChem CID19993749
Molecular FormulaC21H22FNO
Molecular Weight323.41 g/mol
Exact Mass323.17
IUPAC Name[4-(4-fluorophenyl)-5-methyl-1-phenyl-2-propan-2-ylpyrrol-3-yl]methanol
SMILESCc1c(-c2ccc(F)cc2)c(CO)c(C(C)C)n1-c1ccccc1
InChIInChI=1S/C21H22FNO/c1-14(2)21-19(13-24)20(16-9-11-17(22)12-10-16)15(3)23(21)18-7-5-4-6-8-18/h4-12,14,24H,13H2,1-3H3
InChIKeyIYRSIJMWVBLOCZ-UHFFFAOYSA-N
XLogP5.21
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.41
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(+)-(1R)-1-[4-(4-fluorophenyl)-2,6-diisopropyl-5-propylpyridin-3-yl]ethanol
CID 9906120
(+)-2,6-Diisopropyl-3-(1-hydroxyethyl)-4-(4-fluorophenyl)-5-propylpyridine
CID 11186974
1-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-5-pentyl-pyridin-3-yl]-ethanol
CID 22004872
[5-Ethyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22004918
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-pentylpyridine
CID 22004955
1-[4-(4-Fluoro-phenyl)-5-hexyl-2,6-diisopropyl-pyridin-3-yl]-ethanol
CID 22004988
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-hexylpyridine
CID 22005015
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-heptylpyridine
CID 22005069
[5-Butyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22005107
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-propylpyridine
CID 22005204
1-[5-Butyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-ethanol
CID 22005250
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-(3-methylbutyl)pyridine
CID 22005339

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-methyl-1-phenyl-2-propan-2-ylpyrrol-3-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-5-methyl-1-phenyl-2-propan-2-ylpyrrol-3-yl]methanol (CID 19993749) is [4-(4-fluorophenyl)-5-methyl-1-phenyl-2-propan-2-ylpyrrol-3-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-5-methyl-1-phenyl-2-propan-2-ylpyrrol-3-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-5-methyl-1-phenyl-2-propan-2-ylpyrrol-3-yl]methanol is Cc1c(-c2ccc(F)cc2)c(CO)c(C(C)C)n1-c1ccccc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-methyl-1-phenyl-2-propan-2-ylpyrrol-3-yl]methanol?
The InChIKey is IYRSIJMWVBLOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO/c1-14(2)21-19(13-24)20(16-9-11-17(22)12-10-16)15(3)23(21)18-7-5-4-6-8-18/h4-12,14,24H,13H2,1-3H3.
What are the key properties of [4-(4-fluorophenyl)-5-methyl-1-phenyl-2-propan-2-ylpyrrol-3-yl]methanol?
[4-(4-fluorophenyl)-5-methyl-1-phenyl-2-propan-2-ylpyrrol-3-yl]methanol has a molecular weight of 323.41 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-methyl-1-phenyl-2-propan-2-ylpyrrol-3-yl]methanol is sourced from PubChem (CID 19993749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).