methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate

C15H19NO4 — CID 83944534

IUPACmethyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate
SMILESCOC(=O)Cc1cn(CCCO)c2ccc(OC)cc12
InChIInChI=1S/C15H19NO4/c1-19-12-4-5-14-13(9-12)11(8-15(18)20-2)10-16(14)6-3-7-17/h4-5,9-10,17H,3,6-8H2,1-2H3
InChIKeyJONKDNHDNCGJJN-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.75
Rot. Bonds6

About methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate

methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate (PubChem CID 83944534) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate
PubChem CID83944534
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate
SMILESCOC(=O)Cc1cn(CCCO)c2ccc(OC)cc12
InChIInChI=1S/C15H19NO4/c1-19-12-4-5-14-13(9-12)11(8-15(18)20-2)10-16(14)6-3-7-17/h4-5,9-10,17H,3,6-8H2,1-2H3
InChIKeyJONKDNHDNCGJJN-UHFFFAOYSA-N
XLogP1.75
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate
CID 83948380
methyl 2-[5-bromo-1-(3-hydroxypropyl)indol-3-yl]acetate
CID 83946749
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate
CID 83944998
benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10667803
3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol
CID 83945213
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide
CID 10926166
methyl 5-bromo-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83948124
methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947740
methyl 2-[5-bromo-3-(3-hydroxypropyl)indol-1-yl]acetate
CID 83946726
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate?
The IUPAC name of methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate (CID 83944534) is methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate is COC(=O)Cc1cn(CCCO)c2ccc(OC)cc12.
What is the InChIKey of methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate?
The InChIKey is JONKDNHDNCGJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-12-4-5-14-13(9-12)11(8-15(18)20-2)10-16(14)6-3-7-17/h4-5,9-10,17H,3,6-8H2,1-2H3.
What are the key properties of methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate?
methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate has a molecular weight of 277.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate is sourced from PubChem (CID 83944534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).