3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol

C13H17NO2 — CID 170857438

IUPAC3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol
SMILESCOc1ccc2[nH]c(CCCO)c(C)c2c1
InChIInChI=1S/C13H17NO2/c1-9-11-8-10(16-2)5-6-13(11)14-12(9)4-3-7-15/h5-6,8,14-15H,3-4,7H2,1-2H3
InChIKeyRFMGGYCBZAJPIV-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.41
Rot. Bonds4

About 3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol

3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol (PubChem CID 170857438) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol
PubChem CID170857438
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol
SMILESCOc1ccc2[nH]c(CCCO)c(C)c2c1
InChIInChI=1S/C13H17NO2/c1-9-11-8-10(16-2)5-6-13(11)14-12(9)4-3-7-15/h5-6,8,14-15H,3-4,7H2,1-2H3
InChIKeyRFMGGYCBZAJPIV-UHFFFAOYSA-N
XLogP2.41
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethyl-1H-indol-2-yl)propan-1-ol
CID 170857441
3-(5-methoxy-3-methyl-1H-indol-2-yl)-2-methylpropanoic acid
CID 84632755
(3-bromo-5-methoxy-1H-indol-2-yl)methanol
CID 115047680
(E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one
CID 118735508
2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde
CID 118108331
N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide
CID 77083995
[2-(hydroxymethyl)-5-methoxy-1H-indol-3-yl] acetate
CID 70622669
5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole
CID 74241751
2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 84637571
2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine
CID 84641076
14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol
CID 23073452
3-(5-bromo-3-methyl-1H-indol-2-yl)-N-methylpropan-1-amine
CID 84642820

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol?
The IUPAC name of 3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol (CID 170857438) is 3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol?
The canonical SMILES for 3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol is COc1ccc2[nH]c(CCCO)c(C)c2c1.
What is the InChIKey of 3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol?
The InChIKey is RFMGGYCBZAJPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-11-8-10(16-2)5-6-13(11)14-12(9)4-3-7-15/h5-6,8,14-15H,3-4,7H2,1-2H3.
What are the key properties of 3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol?
3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol has a molecular weight of 219.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol is sourced from PubChem (CID 170857438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).