3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol

C16H23NO3 — CID 83944719

IUPAC3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol
SMILESCCOc1cc2c(CCCO)cn(C)c2cc1OCC
InChIInChI=1S/C16H23NO3/c1-4-19-15-9-13-12(7-6-8-18)11-17(3)14(13)10-16(15)20-5-2/h9-11,18H,4-8H2,1-3H3
InChIKeyWMBWZNHRGMDPSJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.90
Rot. Bonds7

About 3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol

3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol (PubChem CID 83944719) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol
PubChem CID83944719
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol
SMILESCCOc1cc2c(CCCO)cn(C)c2cc1OCC
InChIInChI=1S/C16H23NO3/c1-4-19-15-9-13-12(7-6-8-18)11-17(3)14(13)10-16(15)20-5-2/h9-11,18H,4-8H2,1-3H3
InChIKeyWMBWZNHRGMDPSJ-UHFFFAOYSA-N
XLogP2.90
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol
CID 83944729
3-(5-ethyl-1-methylindol-3-yl)propan-1-ol
CID 82278629
2-(5-ethoxy-1-methylindol-3-yl)ethanol
CID 82278619
3-(6-methoxy-1-methylindol-3-yl)propan-1-ol
CID 82278635
2-(5,6-diethoxy-3-methylindol-1-yl)ethanol
CID 83944699
2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine
CID 83948446
2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid
CID 83944715
2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid
CID 83944711
3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 98784252
2-[3-(3-hydroxypropyl)-5,6-dimethoxyindol-1-yl]acetic acid
CID 83944581
3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
CID 83948447
2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine
CID 96675794

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol?
The IUPAC name of 3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol (CID 83944719) is 3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol?
The canonical SMILES for 3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol is CCOc1cc2c(CCCO)cn(C)c2cc1OCC.
What is the InChIKey of 3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol?
The InChIKey is WMBWZNHRGMDPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-19-15-9-13-12(7-6-8-18)11-17(3)14(13)10-16(15)20-5-2/h9-11,18H,4-8H2,1-3H3.
What are the key properties of 3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol?
3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol has a molecular weight of 277.36 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol is sourced from PubChem (CID 83944719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).