2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol

C18H21NO2 — CID 63899321

IUPAC2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
SMILESCOc1ccccc1CC(O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C18H21NO2/c1-19-10-9-13-11-14(7-8-16(13)19)17(20)12-15-5-3-4-6-18(15)21-2/h3-8,11,17,20H,9-10,12H2,1-2H3
InChIKeyHSNYYUADRXUBAV-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.96
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol

2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol (PubChem CID 63899321) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
PubChem CID63899321
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
SMILESCOc1ccccc1CC(O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C18H21NO2/c1-19-10-9-13-11-14(7-8-16(13)19)17(20)12-15-5-3-4-6-18(15)21-2/h3-8,11,17,20H,9-10,12H2,1-2H3
InChIKeyHSNYYUADRXUBAV-UHFFFAOYSA-N
XLogP2.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
CID 65149599
(2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82791432
2-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 110729357
1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 55162570
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
1-(3,4-difluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 61089068
3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide
CID 90582283
(2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900554
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,4-dimethoxybenzamide
CID 90582226
1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol
CID 115524903

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol?
The IUPAC name of 2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol (CID 63899321) is 2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol is COc1ccccc1CC(O)c1ccc2c(c1)CCN2C.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol?
The InChIKey is HSNYYUADRXUBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19-10-9-13-11-14(7-8-16(13)19)17(20)12-15-5-3-4-6-18(15)21-2/h3-8,11,17,20H,9-10,12H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol?
2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol has a molecular weight of 283.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol is sourced from PubChem (CID 63899321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).