2-[2-[4-(4-fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol

C22H24FNO — CID 57010627

IUPAC2-[2-[4-(4-fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol
SMILESCC(CCc1ccc(F)cc1)C1(CC(O)c2ccccc2)C=CC=N1
InChIInChI=1S/C22H24FNO/c1-17(8-9-18-10-12-20(23)13-11-18)22(14-5-15-24-22)16-21(25)19-6-3-2-4-7-19/h2-7,10-15,17,21,25H,8-9,16H2,1H3
InChIKeyMITMTEYZSTYYNJ-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.90
Rot. Bonds7

About 2-[2-[4-(4-fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol

2-[2-[4-(4-fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol (PubChem CID 57010627) has the molecular formula C22H24FNO and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-[2-[4-(4-fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-[4-(4-fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol
PubChem CID57010627
Molecular FormulaC22H24FNO
Molecular Weight337.44 g/mol
Exact Mass337.18
IUPAC Name2-[2-[4-(4-fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol
SMILESCC(CCc1ccc(F)cc1)C1(CC(O)c2ccccc2)C=CC=N1
InChIInChI=1S/C22H24FNO/c1-17(8-9-18-10-12-20(23)13-11-18)22(14-5-15-24-22)16-21(25)19-6-3-2-4-7-19/h2-7,10-15,17,21,25H,8-9,16H2,1H3
InChIKeyMITMTEYZSTYYNJ-UHFFFAOYSA-N
XLogP4.90
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzhydrol, alpha-(2-(isopropylideneamino)-1-methylethyl)-
CID 210710
2-(Benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 134884033
2-(Benzylideneamino)-1-phenyl-1-propanol
CID 3342267
2-[2-[4-(4-Fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol
CID 57276886
(1R,2R)-3-(dimethylamino)-1-(4-fluorophenyl)-2-phenylpropan-1-ol
CID 68197732
(1S,2S)-3-(dimethylamino)-1-(4-fluorophenyl)-2-phenylpropan-1-ol
CID 68197733
3-(Dimethylamino)-1-(4-fluorophenyl)-2-phenylpropan-1-ol
CID 68197734
(1S,2R)-3-(dimethylamino)-1-(4-fluorophenyl)-2-phenylpropan-1-ol
CID 68197735
(1R,2S)-3-(dimethylamino)-1-(4-fluorophenyl)-2-phenylpropan-1-ol
CID 68197738
1-(2,4-Difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
CID 91526392
4-(4-Fluorophenyl)-2,3-dihydropyridin-3-ol
CID 141374848
[2-(2,3-Dihydropyridin-4-yl)-5-fluorophenyl]methanol
CID 174850318

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol?
The IUPAC name of 2-[2-[4-(4-fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol (CID 57010627) is 2-[2-[4-(4-fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol.
What is the SMILES notation for 2-[2-[4-(4-fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol?
The canonical SMILES for 2-[2-[4-(4-fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol is CC(CCc1ccc(F)cc1)C1(CC(O)c2ccccc2)C=CC=N1.
What is the InChIKey of 2-[2-[4-(4-fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol?
The InChIKey is MITMTEYZSTYYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO/c1-17(8-9-18-10-12-20(23)13-11-18)22(14-5-15-24-22)16-21(25)19-6-3-2-4-7-19/h2-7,10-15,17,21,25H,8-9,16H2,1H3.
What are the key properties of 2-[2-[4-(4-fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol?
2-[2-[4-(4-fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol has a molecular weight of 337.44 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluorophenyl)butan-2-yl]pyrrol-2-yl]-1-phenylethanol is sourced from PubChem (CID 57010627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).