methyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate

C17H21NO4 — CID 66670956

IUPACmethyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(CCOC3CCCCO3)cc2c1
InChIInChI=1S/C17H21NO4/c1-20-17(19)12-5-6-15-13(10-12)11-14(18-15)7-9-22-16-4-2-3-8-21-16/h5-6,10-11,16,18H,2-4,7-9H2,1H3
InChIKeyJGANIFVDBXMSDA-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.04
Rot. Bonds5

About methyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate

methyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate (PubChem CID 66670956) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate
PubChem CID66670956
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Namemethyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(CCOC3CCCCO3)cc2c1
InChIInChI=1S/C17H21NO4/c1-20-17(19)12-5-6-15-13(10-12)11-14(18-15)7-9-22-16-4-2-3-8-21-16/h5-6,10-11,16,18H,2-4,7-9H2,1H3
InChIKeyJGANIFVDBXMSDA-UHFFFAOYSA-N
XLogP3.04
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[12-(oxan-2-yloxy)dodecoxy]benzoate
CID 67066837
1-O-tert-butyl 6-O-methyl 2-[2-(oxan-2-yloxy)ethyl]indole-1,6-dicarboxylate
CID 171801666
methyl 4-(ethylamino)-3-[2-(oxan-2-yloxy)ethoxy]benzoate
CID 126507881
methyl 4-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]benzoate
CID 102002140
methane;methyl 6-(oxan-2-yloxy)naphthalene-2-carboxylate;6-(oxan-2-yloxy)naphthalene-2-carboxylic acid
CID 162250703
methyl 4-[(E)-2-[3-[3-(oxan-2-yloxy)propyl]phenyl]ethenyl]benzoate
CID 10022678
methyl 4-[(E)-4-[2-(oxan-2-yloxy)ethoxy]but-1-enyl]benzoate
CID 122582493
methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate
CID 10022408
methyl 4-[2-(1H-indol-2-yl)ethoxy]benzoate
CID 18928558
methyl 2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxylate
CID 130432952
methyl 2-(2-methylpropyl)-1H-indole-6-carboxylate
CID 22627278
6-(oxan-2-yloxy)hexyl 4-hydroxybenzoate
CID 19959611

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate?
The IUPAC name of methyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate (CID 66670956) is methyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate?
The canonical SMILES for methyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate is COC(=O)c1ccc2[nH]c(CCOC3CCCCO3)cc2c1.
What is the InChIKey of methyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate?
The InChIKey is JGANIFVDBXMSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-20-17(19)12-5-6-15-13(10-12)11-14(18-15)7-9-22-16-4-2-3-8-21-16/h5-6,10-11,16,18H,2-4,7-9H2,1H3.
What are the key properties of methyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate?
methyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate is sourced from PubChem (CID 66670956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).