1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol

C14H21NO2 — CID 117202563

IUPAC1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol
SMILESCOc1ccc2c(c1)C(C(C)O)CN2C(C)C
InChIInChI=1S/C14H21NO2/c1-9(2)15-8-13(10(3)16)12-7-11(17-4)5-6-14(12)15/h5-7,9-10,13,16H,8H2,1-4H3
InChIKeySAHTVTSYXHSWRI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.39
Rot. Bonds3

About 1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol

1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol (PubChem CID 117202563) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol
PubChem CID117202563
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol
SMILESCOc1ccc2c(c1)C(C(C)O)CN2C(C)C
InChIInChI=1S/C14H21NO2/c1-9(2)15-8-13(10(3)16)12-7-11(17-4)5-6-14(12)15/h5-7,9-10,13,16H,8H2,1-4H3
InChIKeySAHTVTSYXHSWRI-UHFFFAOYSA-N
XLogP2.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)methyl]hydroxylamine
CID 117202572
2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202601
2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N,N-dimethylethanamine
CID 169244252
1-(5-methoxy-2-pyrrolidin-1-ylphenyl)ethanol
CID 117316095
(1S)-1-[(1S,2R)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanol
CID 124552575
1-(6-methoxy-1H-inden-1-yl)ethanol
CID 90078900
2-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoic acid
CID 133219822
5-hydroxy-1-propan-2-yl-2,3-dihydroindole-3-carbaldehyde
CID 117202551
2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one
CID 90078933
1-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)ethanol
CID 117202208
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
5-methoxy-1,3-dipropyl-2,3-dihydroindole
CID 83960216

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol?
The IUPAC name of 1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol (CID 117202563) is 1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol.
What is the SMILES notation for 1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol?
The canonical SMILES for 1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol is COc1ccc2c(c1)C(C(C)O)CN2C(C)C.
What is the InChIKey of 1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol?
The InChIKey is SAHTVTSYXHSWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(2)15-8-13(10(3)16)12-7-11(17-4)5-6-14(12)15/h5-7,9-10,13,16H,8H2,1-4H3.
What are the key properties of 1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol?
1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol has a molecular weight of 235.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanol is sourced from PubChem (CID 117202563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).