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

C17H17ClFNO — CID 103039006

IUPAC2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
SMILESCN1CCc2cc(C(O)Cc3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C17H17ClFNO/c1-20-7-6-12-10-13(3-5-16(12)20)17(21)9-11-2-4-15(19)14(18)8-11/h2-5,8,10,17,21H,6-7,9H2,1H3
InChIKeyIIEABFXHHAQFSO-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.75
Rot. Bonds3

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

2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol (PubChem CID 103039006) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
PubChem CID103039006
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
SMILESCN1CCc2cc(C(O)Cc3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C17H17ClFNO/c1-20-7-6-12-10-13(3-5-16(12)20)17(21)9-11-2-4-15(19)14(18)8-11/h2-5,8,10,17,21H,6-7,9H2,1H3
InChIKeyIIEABFXHHAQFSO-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.75
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

3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292
2-(3-fluorophenyl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
CID 63896170
3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62094953
2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
CID 65149599
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900549
N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 90582509
N'-(3-chloro-4-fluorophenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 51640961
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
CID 90582324
1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 63414664
1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol
CID 79567530
(2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82802452
2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
CID 63899321

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol (CID 103039006) is 2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol is CN1CCc2cc(C(O)Cc3ccc(F)c(Cl)c3)ccc21.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol?
The InChIKey is IIEABFXHHAQFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-20-7-6-12-10-13(3-5-16(12)20)17(21)9-11-2-4-15(19)14(18)8-11/h2-5,8,10,17,21H,6-7,9H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol?
2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol has a molecular weight of 305.78 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol is sourced from PubChem (CID 103039006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).