oxan-2-ylmethyl 2-indol-1-ylacetate

C16H19NO3 — CID 87044522

IUPACoxan-2-ylmethyl 2-indol-1-ylacetate
SMILESO=C(Cn1ccc2ccccc21)OCC1CCCCO1
InChIInChI=1S/C16H19NO3/c18-16(20-12-14-6-3-4-10-19-14)11-17-9-8-13-5-1-2-7-15(13)17/h1-2,5,7-9,14H,3-4,6,10-12H2
InChIKeyNKDQBTSFRSYOGZ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.75
Rot. Bonds4

About oxan-2-ylmethyl 2-indol-1-ylacetate

oxan-2-ylmethyl 2-indol-1-ylacetate (PubChem CID 87044522) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is oxan-2-ylmethyl 2-indol-1-ylacetate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 2-indol-1-ylacetate
PubChem CID87044522
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameoxan-2-ylmethyl 2-indol-1-ylacetate
SMILESO=C(Cn1ccc2ccccc21)OCC1CCCCO1
InChIInChI=1S/C16H19NO3/c18-16(20-12-14-6-3-4-10-19-14)11-17-9-8-13-5-1-2-7-15(13)17/h1-2,5,7-9,14H,3-4,6,10-12H2
InChIKeyNKDQBTSFRSYOGZ-UHFFFAOYSA-N
XLogP2.75
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884
2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 91770989
1-cyclopentyl-2-indol-1-ylethanone
CID 104751207
oxan-2-ylmethyl 4-phenoxybutanoate
CID 78788814
oxolan-2-ylmethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate
CID 16619890
oxan-2-ylmethyl 3-aminopropanoate
CID 61279646
oxan-2-ylmethyl 3-phenylsulfanylpropanoate
CID 78788879
1-(oxan-2-ylmethyl)indole-5-carboxylic acid
CID 63935795
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
oxolan-2-ylmethyl 2-(2-aminophenyl)acetate
CID 61308884
but-2-enyl 2-indol-1-ylacetate
CID 103598369
1-(oxan-2-ylmethyl)indole-6-carboxylic acid
CID 63936403

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 2-indol-1-ylacetate?
The IUPAC name of oxan-2-ylmethyl 2-indol-1-ylacetate (CID 87044522) is oxan-2-ylmethyl 2-indol-1-ylacetate.
What is the SMILES notation for oxan-2-ylmethyl 2-indol-1-ylacetate?
The canonical SMILES for oxan-2-ylmethyl 2-indol-1-ylacetate is O=C(Cn1ccc2ccccc21)OCC1CCCCO1.
What is the InChIKey of oxan-2-ylmethyl 2-indol-1-ylacetate?
The InChIKey is NKDQBTSFRSYOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-16(20-12-14-6-3-4-10-19-14)11-17-9-8-13-5-1-2-7-15(13)17/h1-2,5,7-9,14H,3-4,6,10-12H2.
What are the key properties of oxan-2-ylmethyl 2-indol-1-ylacetate?
oxan-2-ylmethyl 2-indol-1-ylacetate has a molecular weight of 273.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 2-indol-1-ylacetate is sourced from PubChem (CID 87044522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).