2-[3-[5-bromo-3-fluoro-1-(2-hydroxyethyl)indol-2-yl]indol-1-yl]ethanol

C20H18BrFN2O2 — CID 122212490

IUPAC2-[3-[5-bromo-3-fluoro-1-(2-hydroxyethyl)indol-2-yl]indol-1-yl]ethanol
SMILESOCCn1cc(-c2c(F)c3cc(Br)ccc3n2CCO)c2ccccc21
InChIInChI=1S/C20H18BrFN2O2/c21-13-5-6-18-15(11-13)19(22)20(24(18)8-10-26)16-12-23(7-9-25)17-4-2-1-3-14(16)17/h1-6,11-12,25-26H,7-10H2
InChIKeyPGBQCEZDUGCTAH-UHFFFAOYSA-N
MW417.28 g/mol
LogP4.15
Rot. Bonds5

About 2-[3-[5-bromo-3-fluoro-1-(2-hydroxyethyl)indol-2-yl]indol-1-yl]ethanol

2-[3-[5-bromo-3-fluoro-1-(2-hydroxyethyl)indol-2-yl]indol-1-yl]ethanol (PubChem CID 122212490) has the molecular formula C20H18BrFN2O2 and a molecular weight of 417.28 g/mol. Its IUPAC name is 2-[3-[5-bromo-3-fluoro-1-(2-hydroxyethyl)indol-2-yl]indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[5-bromo-3-fluoro-1-(2-hydroxyethyl)indol-2-yl]indol-1-yl]ethanol
PubChem CID122212490
Molecular FormulaC20H18BrFN2O2
Molecular Weight417.28 g/mol
Exact Mass416.05
IUPAC Name2-[3-[5-bromo-3-fluoro-1-(2-hydroxyethyl)indol-2-yl]indol-1-yl]ethanol
SMILESOCCn1cc(-c2c(F)c3cc(Br)ccc3n2CCO)c2ccccc21
InChIInChI=1S/C20H18BrFN2O2/c21-13-5-6-18-15(11-13)19(22)20(24(18)8-10-26)16-12-23(7-9-25)17-4-2-1-3-14(16)17/h1-6,11-12,25-26H,7-10H2
InChIKeyPGBQCEZDUGCTAH-UHFFFAOYSA-N
XLogP4.15
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.28
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylamino)-3-(3,6-dibromo-9H-carbazol-9-yl)propan-2-ol
CID 3125888
3,6-Dibromo-alpha-((dimethylamino)methyl)-9H-carbazole-9-ethanol
CID 2775510
(S)-wiskostatin
CID 448668
3,6-Dibromo-9-(2-hydroxy-3-morpholinopropyl)carbazole
CID 567942
1-(3,6-Dibromocarbazol-9-yl)-3-[(tert-butyl)amino]propan-2-ol
CID 2802127
3,6-Dibromo-alpha-[(phenylamino)methyl]-9H-carbazole-9-ethanol
CID 2836187
1-(3,6-Dibromo-carbazol-9-yl)-3-phenethylamino-propan-2-ol
CID 2854573
1-(3,6-Dibromo-carbazol-9-yl)-3-[(tetrahydro-furan-2-ylmethyl)-amino]-propan-2-ol
CID 2874606
(3r,4s)-1-[(2-Bromo-6-Fluorophenyl)methyl]-N,N-Dimethyl-4-(1-Methyl-1h-Indol-3-Yl)pyrrolidin-3-Amine
CID 124220776
1-(3,6-Dibromocarbazol-9-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 2836156
1-(3,6-dibromo-9H-carbazol-9-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol
CID 2836182
1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromo-9H-carbazol-9-yl)propan-2-ol
CID 2851937

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-bromo-3-fluoro-1-(2-hydroxyethyl)indol-2-yl]indol-1-yl]ethanol?
The IUPAC name of 2-[3-[5-bromo-3-fluoro-1-(2-hydroxyethyl)indol-2-yl]indol-1-yl]ethanol (CID 122212490) is 2-[3-[5-bromo-3-fluoro-1-(2-hydroxyethyl)indol-2-yl]indol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[5-bromo-3-fluoro-1-(2-hydroxyethyl)indol-2-yl]indol-1-yl]ethanol?
The canonical SMILES for 2-[3-[5-bromo-3-fluoro-1-(2-hydroxyethyl)indol-2-yl]indol-1-yl]ethanol is OCCn1cc(-c2c(F)c3cc(Br)ccc3n2CCO)c2ccccc21.
What is the InChIKey of 2-[3-[5-bromo-3-fluoro-1-(2-hydroxyethyl)indol-2-yl]indol-1-yl]ethanol?
The InChIKey is PGBQCEZDUGCTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN2O2/c21-13-5-6-18-15(11-13)19(22)20(24(18)8-10-26)16-12-23(7-9-25)17-4-2-1-3-14(16)17/h1-6,11-12,25-26H,7-10H2.
What are the key properties of 2-[3-[5-bromo-3-fluoro-1-(2-hydroxyethyl)indol-2-yl]indol-1-yl]ethanol?
2-[3-[5-bromo-3-fluoro-1-(2-hydroxyethyl)indol-2-yl]indol-1-yl]ethanol has a molecular weight of 417.28 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-bromo-3-fluoro-1-(2-hydroxyethyl)indol-2-yl]indol-1-yl]ethanol is sourced from PubChem (CID 122212490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).