2-[2-[6-[2-[(4-fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol

C23H29FN2O — CID 57306570

IUPAC2-[2-[6-[2-[(4-fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol
SMILESOCCC1(CCCCCCC2(Cc3ccc(F)cc3)C=CC=N2)C=CC=N1
InChIInChI=1S/C23H29FN2O/c24-21-9-7-20(8-10-21)19-23(14-6-17-26-23)12-4-2-1-3-11-22(15-18-27)13-5-16-25-22/h5-10,13-14,16-17,27H,1-4,11-12,15,18-19H2
InChIKeyLETSKASBIVMTCN-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.85
Rot. Bonds11

About 2-[2-[6-[2-[(4-fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol

2-[2-[6-[2-[(4-fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol (PubChem CID 57306570) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-[2-[6-[2-[(4-fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name2-[2-[6-[2-[(4-fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol
PubChem CID57306570
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name2-[2-[6-[2-[(4-fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol
SMILESOCCC1(CCCCCCC2(Cc3ccc(F)cc3)C=CC=N2)C=CC=N1
InChIInChI=1S/C23H29FN2O/c24-21-9-7-20(8-10-21)19-23(14-6-17-26-23)12-4-2-1-3-11-22(15-18-27)13-5-16-25-22/h5-10,13-14,16-17,27H,1-4,11-12,15,18-19H2
InChIKeyLETSKASBIVMTCN-UHFFFAOYSA-N
XLogP4.85
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-((p-Fluorobenzylidene)amino)-3-phenyl-1-propanol
CID 208995
2-[2-[1-Phenyl-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrol-2-yl]ethanol
CID 57262496
2-[2-[4-(4-Fluorophenyl)-2-methylbutan-2-yl]pyrrol-2-yl]ethanol
CID 57276886
[4-(4-Fluorophenyl)-2,3,4,5-tetrahydropyridin-3-yl]methanol
CID 70117167
2-(4-Fluorophenyl)-2,3,4,5-tetrahydropyridin-4-ol
CID 90996519
2-[(2-Benzylpyrrol-2-yl)methyl]-3,3,3-trifluoropropane-1,2-diol
CID 91481850
1-(2,4-Difluorophenyl)-1-(2-ethylpyrrol-2-yl)-2-methylpropan-2-ol
CID 91526392
3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol
CID 143733259
(2S)-2-[(4-fluorophenyl)methylideneamino]-3-phenylpropan-1-ol
CID 92203051
(2R)-2-[(4-fluorophenyl)methylideneamino]-3-phenylpropan-1-ol
CID 92203052
9-[2-(2-Phenylethyl)pyrrol-2-yl]nonane-1,8-diol
CID 56977286
2-(2-Benzylpyrrol-2-yl)ethanol
CID 56995075

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[2-[(4-fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol?
The IUPAC name of 2-[2-[6-[2-[(4-fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol (CID 57306570) is 2-[2-[6-[2-[(4-fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol.
What is the SMILES notation for 2-[2-[6-[2-[(4-fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol?
The canonical SMILES for 2-[2-[6-[2-[(4-fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol is OCCC1(CCCCCCC2(Cc3ccc(F)cc3)C=CC=N2)C=CC=N1.
What is the InChIKey of 2-[2-[6-[2-[(4-fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol?
The InChIKey is LETSKASBIVMTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O/c24-21-9-7-20(8-10-21)19-23(14-6-17-26-23)12-4-2-1-3-11-22(15-18-27)13-5-16-25-22/h5-10,13-14,16-17,27H,1-4,11-12,15,18-19H2.
What are the key properties of 2-[2-[6-[2-[(4-fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol?
2-[2-[6-[2-[(4-fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol has a molecular weight of 368.50 g/mol, XLogP of 4.85, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[2-[(4-fluorophenyl)methyl]pyrrol-2-yl]hexyl]pyrrol-2-yl]ethanol is sourced from PubChem (CID 57306570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).