2-(5,6-diethoxy-3-methylindol-1-yl)ethanol

C15H21NO3 — CID 83944699

IUPAC2-(5,6-diethoxy-3-methylindol-1-yl)ethanol
SMILESCCOc1cc2c(C)cn(CCO)c2cc1OCC
InChIInChI=1S/C15H21NO3/c1-4-18-14-8-12-11(3)10-16(6-7-17)13(12)9-15(14)19-5-2/h8-10,17H,4-7H2,1-3H3
InChIKeyKAAKSFSDKNTOHF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.74
Rot. Bonds6

About 2-(5,6-diethoxy-3-methylindol-1-yl)ethanol

2-(5,6-diethoxy-3-methylindol-1-yl)ethanol (PubChem CID 83944699) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(5,6-diethoxy-3-methylindol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5,6-diethoxy-3-methylindol-1-yl)ethanol
PubChem CID83944699
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(5,6-diethoxy-3-methylindol-1-yl)ethanol
SMILESCCOc1cc2c(C)cn(CCO)c2cc1OCC
InChIInChI=1S/C15H21NO3/c1-4-18-14-8-12-11(3)10-16(6-7-17)13(12)9-15(14)19-5-2/h8-10,17H,4-7H2,1-3H3
InChIKeyKAAKSFSDKNTOHF-UHFFFAOYSA-N
XLogP2.74
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.74
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-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol
CID 83944719
1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol
CID 83944727
2-(5-tert-butyl-3-methylindol-1-yl)ethanol
CID 83945063
3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
CID 83948447
1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid
CID 83963535
2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine
CID 83948446
2-(4-ethoxyindol-1-yl)ethanol
CID 83174332
3-(5,6-diethoxyindol-1-yl)propan-1-ol
CID 83944745
2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid
CID 83944711
2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol
CID 83944570
2-(5,6-diethoxy-3-formylindol-1-yl)acetic acid
CID 83947517

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-diethoxy-3-methylindol-1-yl)ethanol?
The IUPAC name of 2-(5,6-diethoxy-3-methylindol-1-yl)ethanol (CID 83944699) is 2-(5,6-diethoxy-3-methylindol-1-yl)ethanol.
What is the SMILES notation for 2-(5,6-diethoxy-3-methylindol-1-yl)ethanol?
The canonical SMILES for 2-(5,6-diethoxy-3-methylindol-1-yl)ethanol is CCOc1cc2c(C)cn(CCO)c2cc1OCC.
What is the InChIKey of 2-(5,6-diethoxy-3-methylindol-1-yl)ethanol?
The InChIKey is KAAKSFSDKNTOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-18-14-8-12-11(3)10-16(6-7-17)13(12)9-15(14)19-5-2/h8-10,17H,4-7H2,1-3H3.
What are the key properties of 2-(5,6-diethoxy-3-methylindol-1-yl)ethanol?
2-(5,6-diethoxy-3-methylindol-1-yl)ethanol has a molecular weight of 263.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-diethoxy-3-methylindol-1-yl)ethanol is sourced from PubChem (CID 83944699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).