2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate

C21H23NO5 — CID 17138681

IUPAC2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate
SMILESCCOc1ccc(-n2c(C)c(C(=O)OCCOC)c3cc(O)ccc32)cc1
InChIInChI=1S/C21H23NO5/c1-4-26-17-8-5-15(6-9-17)22-14(2)20(21(24)27-12-11-25-3)18-13-16(23)7-10-19(18)22/h5-10,13,23H,4,11-12H2,1-3H3
InChIKeyDKZJQGHTCYXZNY-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.85
Rot. Bonds7

About 2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate

2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate (PubChem CID 17138681) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate
PubChem CID17138681
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate
SMILESCCOc1ccc(-n2c(C)c(C(=O)OCCOC)c3cc(O)ccc32)cc1
InChIInChI=1S/C21H23NO5/c1-4-26-17-8-5-15(6-9-17)22-14(2)20(21(24)27-12-11-25-3)18-13-16(23)7-10-19(18)22/h5-10,13,23H,4,11-12H2,1-3H3
InChIKeyDKZJQGHTCYXZNY-UHFFFAOYSA-N
XLogP3.85
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-(2-ethoxy-2-oxoethoxy)-1-(4-ethoxyphenyl)-2-methylindole-3-carboxylate
CID 1038232
ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate
CID 19238131
ethyl 1-(4-ethoxyphenyl)-2-methyl-5-prop-2-enoxyindole-3-carboxylate
CID 2076805
ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate
CID 2076757
ethyl 1-(4-ethoxyphenyl)-2-methyl-5-[(4-propan-2-yloxycarbonylphenyl)methoxy]indole-3-carboxylate
CID 2076807
ethyl 5-[2-(dimethylamino)ethoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
CID 23768342
ethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate
CID 11813846
[1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone
CID 23611477
2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
CID 170858004
2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid
CID 67021214
ethyl 5-methoxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate
CID 99990777
ethyl 2-methyl-5-(2-methylbenzoyl)oxy-1-phenylindole-3-carboxylate
CID 3931042

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate?
The IUPAC name of 2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate (CID 17138681) is 2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate is CCOc1ccc(-n2c(C)c(C(=O)OCCOC)c3cc(O)ccc32)cc1.
What is the InChIKey of 2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate?
The InChIKey is DKZJQGHTCYXZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-4-26-17-8-5-15(6-9-17)22-14(2)20(21(24)27-12-11-25-3)18-13-16(23)7-10-19(18)22/h5-10,13,23H,4,11-12H2,1-3H3.
What are the key properties of 2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate?
2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate is sourced from PubChem (CID 17138681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).