2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate

C21H23NO4 — CID 135215758

IUPAC2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
SMILESCOCCOC(=O)Cc1c[nH]c2cc(C)c(OCc3ccccc3)cc12
InChIInChI=1S/C21H23NO4/c1-15-10-19-18(12-20(15)26-14-16-6-4-3-5-7-16)17(13-22-19)11-21(23)25-9-8-24-2/h3-7,10,12-13,22H,8-9,11,14H2,1-2H3
InChIKeyXHOCYVYFZIYOLB-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.79
Rot. Bonds8

About 2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate

2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate (PubChem CID 135215758) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
PubChem CID135215758
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
SMILESCOCCOC(=O)Cc1c[nH]c2cc(C)c(OCc3ccccc3)cc12
InChIInChI=1S/C21H23NO4/c1-15-10-19-18(12-20(15)26-14-16-6-4-3-5-7-16)17(13-22-19)11-21(23)25-9-8-24-2/h3-7,10,12-13,22H,8-9,11,14H2,1-2H3
InChIKeyXHOCYVYFZIYOLB-UHFFFAOYSA-N
XLogP3.79
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
CID 71187027
5,6-bis(phenylmethoxy)-3-propyl-1H-indole
CID 134391777
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)acetate;nitromethane
CID 142512839
methyl 2-[5-(cyclohexa-1,5-dien-1-ylmethoxy)-6-methyl-1H-indol-3-yl]acetate
CID 118357857
methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate
CID 141452623
2-methoxyethyl 2-(2-methylphenyl)acetate
CID 78830183
methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate
CID 94003873
methyl 2-[5-[3-[3-[(4-methylphenyl)methoxy]phenoxy]propoxy]-1H-indol-3-yl]acetate
CID 51038992
methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate
CID 58437486
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960167

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate?
The IUPAC name of 2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate (CID 135215758) is 2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate.
What is the SMILES notation for 2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate?
The canonical SMILES for 2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate is COCCOC(=O)Cc1c[nH]c2cc(C)c(OCc3ccccc3)cc12.
What is the InChIKey of 2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate?
The InChIKey is XHOCYVYFZIYOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-15-10-19-18(12-20(15)26-14-16-6-4-3-5-7-16)17(13-22-19)11-21(23)25-9-8-24-2/h3-7,10,12-13,22H,8-9,11,14H2,1-2H3.
What are the key properties of 2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate?
2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate has a molecular weight of 353.42 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate is sourced from PubChem (CID 135215758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).