ethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate

C14H17NO4 — CID 117412360

IUPACethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate
SMILESCCOC(=O)C(O)c1ccc2c(ccn2C)c1OC
InChIInChI=1S/C14H17NO4/c1-4-19-14(17)12(16)10-5-6-11-9(13(10)18-3)7-8-15(11)2/h5-8,12,16H,4H2,1-3H3
InChIKeyADVXIPONRGOGBC-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.78
Rot. Bonds4

About ethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate

ethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate (PubChem CID 117412360) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate
PubChem CID117412360
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate
SMILESCCOC(=O)C(O)c1ccc2c(ccn2C)c1OC
InChIInChI=1S/C14H17NO4/c1-4-19-14(17)12(16)10-5-6-11-9(13(10)18-3)7-8-15(11)2/h5-8,12,16H,4H2,1-3H3
InChIKeyADVXIPONRGOGBC-UHFFFAOYSA-N
XLogP1.78
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117357394
methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate
CID 117346082
ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117492087
ethyl 2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117411374
ethyl 2-hydroxy-2-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetate
CID 117447810
ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate
CID 11708776
5-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459375
ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
CID 117428823
ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate
CID 114636536
methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
CID 117353034
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117367210

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate (CID 117412360) is ethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate is CCOC(=O)C(O)c1ccc2c(ccn2C)c1OC.
What is the InChIKey of ethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate?
The InChIKey is ADVXIPONRGOGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-4-19-14(17)12(16)10-5-6-11-9(13(10)18-3)7-8-15(11)2/h5-8,12,16H,4H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate?
ethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate has a molecular weight of 263.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate is sourced from PubChem (CID 117412360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).