ethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate

C14H17NO3 — CID 117370501

IUPACethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc2c(C)c(C)[nH]c12
InChIInChI=1S/C14H17NO3/c1-4-18-14(17)13(16)11-7-5-6-10-8(2)9(3)15-12(10)11/h5-7,13,15-16H,4H2,1-3H3
InChIKeyXUMGDJZYUZSKIO-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.38
Rot. Bonds3

About ethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate

ethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate (PubChem CID 117370501) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate
PubChem CID117370501
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc2c(C)c(C)[nH]c12
InChIInChI=1S/C14H17NO3/c1-4-18-14(17)13(16)11-7-5-6-10-8(2)9(3)15-12(10)11/h5-7,13,15-16H,4H2,1-3H3
InChIKeyXUMGDJZYUZSKIO-UHFFFAOYSA-N
XLogP2.38
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
CID 117300125
ethyl 2-hydroxy-2-(1H-indazol-7-yl)acetate
CID 117313880
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073313
ethyl 2-(3-bromo-2H-indazol-7-yl)-2-hydroxyacetate
CID 117481548
diethyl 2-[[(2,3-dimethyl-1H-indol-7-yl)amino]methylidene]propanedioate
CID 3954380
ethyl 2-hydroxy-2-(2-pentan-3-ylphenyl)acetate
CID 117379559
ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117333177
ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate
CID 117352981
ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117302711
ethyl 2-(3-tert-butyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117383969
2,3-dimethyl-1H-indole-7-carboxylate
CID 6950947

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate (CID 117370501) is ethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate is CCOC(=O)C(O)c1cccc2c(C)c(C)[nH]c12.
What is the InChIKey of ethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate?
The InChIKey is XUMGDJZYUZSKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-18-14(17)13(16)11-7-5-6-10-8(2)9(3)15-12(10)11/h5-7,13,15-16H,4H2,1-3H3.
What are the key properties of ethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate?
ethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate has a molecular weight of 247.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate is sourced from PubChem (CID 117370501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).