tert-butyl 2-(1H-indol-6-yloxy)propanoate

C15H19NO3 — CID 141216191

IUPACtert-butyl 2-(1H-indol-6-yloxy)propanoate
SMILESCC(Oc1ccc2cc[nH]c2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H19NO3/c1-10(14(17)19-15(2,3)4)18-12-6-5-11-7-8-16-13(11)9-12/h5-10,16H,1-4H3
InChIKeyGXNHZTYJOHLMEV-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.28
Rot. Bonds3

About tert-butyl 2-(1H-indol-6-yloxy)propanoate

tert-butyl 2-(1H-indol-6-yloxy)propanoate (PubChem CID 141216191) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl 2-(1H-indol-6-yloxy)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(1H-indol-6-yloxy)propanoate
PubChem CID141216191
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nametert-butyl 2-(1H-indol-6-yloxy)propanoate
SMILESCC(Oc1ccc2cc[nH]c2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H19NO3/c1-10(14(17)19-15(2,3)4)18-12-6-5-11-7-8-16-13(11)9-12/h5-10,16H,1-4H3
InChIKeyGXNHZTYJOHLMEV-UHFFFAOYSA-N
XLogP3.28
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(3-methylphenoxy)propanoate
CID 66337727
1H-indol-6-yl hydrogen carbonate
CID 57316242
tert-butyl-(1H-indol-6-yloxy)-dimethylsilane
CID 22250816
tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate
CID 66339372
tert-butyl 2-(3-chloro-4-cyanophenoxy)propanoate
CID 102723925
tert-butyl 2-(3-methyl-4-nitrophenoxy)propanoate
CID 66339011
5-propan-2-yloxy-1H-indole
CID 16738054
6-[1-(3-methylphenyl)ethoxy]-1H-indole
CID 175599037
tert-butyl 4-(1H-indole-6-carbonylamino)benzoate
CID 68698623
tert-butyl N-[(E)-1H-indol-6-ylmethylideneamino]carbamate
CID 71668946
6-[1-(3-fluorophenyl)ethoxy]-1H-indole
CID 175599029
ethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate
CID 70102427

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1H-indol-6-yloxy)propanoate?
The IUPAC name of tert-butyl 2-(1H-indol-6-yloxy)propanoate (CID 141216191) is tert-butyl 2-(1H-indol-6-yloxy)propanoate.
What is the SMILES notation for tert-butyl 2-(1H-indol-6-yloxy)propanoate?
The canonical SMILES for tert-butyl 2-(1H-indol-6-yloxy)propanoate is CC(Oc1ccc2cc[nH]c2c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(1H-indol-6-yloxy)propanoate?
The InChIKey is GXNHZTYJOHLMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(14(17)19-15(2,3)4)18-12-6-5-11-7-8-16-13(11)9-12/h5-10,16H,1-4H3.
What are the key properties of tert-butyl 2-(1H-indol-6-yloxy)propanoate?
tert-butyl 2-(1H-indol-6-yloxy)propanoate has a molecular weight of 261.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1H-indol-6-yloxy)propanoate is sourced from PubChem (CID 141216191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).