methyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate

C15H19NO5 — CID 83947485

IUPACmethyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate
SMILESCOC(=O)c1cn(CCCO)c2cc(OC)c(OC)cc12
InChIInChI=1S/C15H19NO5/c1-19-13-7-10-11(15(18)21-3)9-16(5-4-6-17)12(10)8-14(13)20-2/h7-9,17H,4-6H2,1-3H3
InChIKeyZGBIGEZCTHQHFB-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.83
Rot. Bonds6

About methyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate

methyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate (PubChem CID 83947485) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate
PubChem CID83947485
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate
SMILESCOC(=O)c1cn(CCCO)c2cc(OC)c(OC)cc12
InChIInChI=1S/C15H19NO5/c1-19-13-7-10-11(15(18)21-3)9-16(5-4-6-17)12(10)8-14(13)20-2/h7-9,17H,4-6H2,1-3H3
InChIKeyZGBIGEZCTHQHFB-UHFFFAOYSA-N
XLogP1.83
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylic acid
CID 83947486
methyl 5-bromo-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83948124
methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947740
5,6-dimethoxy-1-(2-methoxyethyl)indole-3-carboxylic acid
CID 66973768
methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate
CID 83947420
[1-(6-hydroxyhexyl)-6-methoxyindol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 45270426
3-acetyl-1-(3-hydroxypropyl)-5-methylindole-6-carboxylic acid
CID 83947015
2-[3-(3-hydroxypropyl)-5,6-dimethoxyindol-1-yl]acetic acid
CID 83944581
methyl 6,7-dichloro-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947544
2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid
CID 83944609
2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol
CID 83944570
1-[1-(3-hydroxypropyl)-5-propan-2-ylindol-3-yl]ethanone
CID 83947629

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate?
The IUPAC name of methyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate (CID 83947485) is methyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate.
What is the SMILES notation for methyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate?
The canonical SMILES for methyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate is COC(=O)c1cn(CCCO)c2cc(OC)c(OC)cc12.
What is the InChIKey of methyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate?
The InChIKey is ZGBIGEZCTHQHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-19-13-7-10-11(15(18)21-3)9-16(5-4-6-17)12(10)8-14(13)20-2/h7-9,17H,4-6H2,1-3H3.
What are the key properties of methyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate?
methyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylate is sourced from PubChem (CID 83947485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).