1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone

C20H20FNO3 — CID 161294319

IUPAC1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone
SMILESCc1cc2[nH]cc(C(=O)Cc3ccc(F)cc3OCCO)c2cc1C
InChIInChI=1S/C20H20FNO3/c1-12-7-16-17(11-22-18(16)8-13(12)2)19(24)9-14-3-4-15(21)10-20(14)25-6-5-23/h3-4,7-8,10-11,22-23H,5-6,9H2,1-2H3
InChIKeyPZPSPRWMGPVVDG-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.72
Rot. Bonds6

About 1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone

1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone (PubChem CID 161294319) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone
PubChem CID161294319
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone
SMILESCc1cc2[nH]cc(C(=O)Cc3ccc(F)cc3OCCO)c2cc1C
InChIInChI=1S/C20H20FNO3/c1-12-7-16-17(11-22-18(16)8-13(12)2)19(24)9-14-3-4-15(21)10-20(14)25-6-5-23/h3-4,7-8,10-11,22-23H,5-6,9H2,1-2H3
InChIKeyPZPSPRWMGPVVDG-UHFFFAOYSA-N
XLogP3.72
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-butoxyethoxy)-4-fluorophenyl]-1-(6-methoxy-5-methyl-1H-indol-3-yl)ethanone
CID 126706402
2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone
CID 122689707
2-(4-fluoro-2-methoxyphenyl)-1-(6-methoxy-7-methyl-1H-indol-3-yl)ethanone
CID 121255014
2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 43163430
2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone
CID 126714606
1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 121255006
1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone
CID 126706430
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
2-bromo-1-(6-ethoxy-5-methyl-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone
CID 131964288
2-bromo-2-(4-fluoro-2-methoxyphenyl)-1-(6-methoxy-5-methyl-1H-indol-3-yl)ethanone
CID 121254987
1-(5-fluoro-6-methoxy-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]ethanone
CID 121254986

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone?
The IUPAC name of 1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone (CID 161294319) is 1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone.
What is the SMILES notation for 1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone?
The canonical SMILES for 1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone is Cc1cc2[nH]cc(C(=O)Cc3ccc(F)cc3OCCO)c2cc1C.
What is the InChIKey of 1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone?
The InChIKey is PZPSPRWMGPVVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-12-7-16-17(11-22-18(16)8-13(12)2)19(24)9-14-3-4-15(21)10-20(14)25-6-5-23/h3-4,7-8,10-11,22-23H,5-6,9H2,1-2H3.
What are the key properties of 1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone?
1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone has a molecular weight of 341.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone is sourced from PubChem (CID 161294319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).