ethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate

C17H21NO3 — CID 71736777

IUPACethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate
SMILESCCOC(=O)COc1cccc2[nH]cc(C3CCCC3)c12
InChIInChI=1S/C17H21NO3/c1-2-20-16(19)11-21-15-9-5-8-14-17(15)13(10-18-14)12-6-3-4-7-12/h5,8-10,12,18H,2-4,6-7,11H2,1H3
InChIKeyOIQMMSSLNCVREW-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.77
Rot. Bonds5

About ethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate

ethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate (PubChem CID 71736777) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate
PubChem CID71736777
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Nameethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate
SMILESCCOC(=O)COc1cccc2[nH]cc(C3CCCC3)c12
InChIInChI=1S/C17H21NO3/c1-2-20-16(19)11-21-15-9-5-8-14-17(15)13(10-18-14)12-6-3-4-7-12/h5,8-10,12,18H,2-4,6-7,11H2,1H3
InChIKeyOIQMMSSLNCVREW-UHFFFAOYSA-N
XLogP3.77
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate
CID 11688175
cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone
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2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141562
ethyl 2-[2-(oxolan-2-yl)phenoxy]acetate
CID 118270818
ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate
CID 137346136
4-phenylmethoxy-3-piperidin-3-yl-1H-indole
CID 82212323
2-[(3-butan-2-yl-1H-indol-4-yl)oxy]acetic acid
CID 71737103
ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate
CID 67613778
ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate
CID 39733625
ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate
CID 142671917
ethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol
CID 158401862
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate?
The IUPAC name of ethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate (CID 71736777) is ethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate?
The canonical SMILES for ethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate is CCOC(=O)COc1cccc2[nH]cc(C3CCCC3)c12.
What is the InChIKey of ethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate?
The InChIKey is OIQMMSSLNCVREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-20-16(19)11-21-15-9-5-8-14-17(15)13(10-18-14)12-6-3-4-7-12/h5,8-10,12,18H,2-4,6-7,11H2,1H3.
What are the key properties of ethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate?
ethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate has a molecular weight of 287.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-cyclopentyl-1H-indol-4-yl)oxy]acetate is sourced from PubChem (CID 71736777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).