2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol

C17H17BrFNO — CID 65149599

IUPAC2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
SMILESCN1CCc2cc(C(O)Cc3ccc(F)cc3Br)ccc21
InChIInChI=1S/C17H17BrFNO/c1-20-7-6-12-8-13(3-5-16(12)20)17(21)9-11-2-4-14(19)10-15(11)18/h2-5,8,10,17,21H,6-7,9H2,1H3
InChIKeyKEBNRICAJCBWSE-UHFFFAOYSA-N
MW350.23 g/mol
LogP3.86
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol

2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol (PubChem CID 65149599) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
PubChem CID65149599
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
SMILESCN1CCc2cc(C(O)Cc3ccc(F)cc3Br)ccc21
InChIInChI=1S/C17H17BrFNO/c1-20-7-6-12-8-13(3-5-16(12)20)17(21)9-11-2-4-14(19)10-15(11)18/h2-5,8,10,17,21H,6-7,9H2,1H3
InChIKeyKEBNRICAJCBWSE-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
CID 63899321
2-(3-fluorophenyl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
CID 63896170
2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
CID 103039006
3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292
2,4-difluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 90582385
2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
CID 65151077
4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 90582373
1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol
CID 79567530
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 65148243
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
CID 90582198
2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol
CID 115786724

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol (CID 65149599) is 2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol is CN1CCc2cc(C(O)Cc3ccc(F)cc3Br)ccc21.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol?
The InChIKey is KEBNRICAJCBWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-20-7-6-12-8-13(3-5-16(12)20)17(21)9-11-2-4-14(19)10-15(11)18/h2-5,8,10,17,21H,6-7,9H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol?
2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol has a molecular weight of 350.23 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol is sourced from PubChem (CID 65149599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).