2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid

C20H19NO6 — CID 67021214

IUPAC2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid
SMILESCCOC(=O)Cc1c(C(=O)O)c2cc(O)ccc2n1-c1ccc(OC)cc1
InChIInChI=1S/C20H19NO6/c1-3-27-18(23)11-17-19(20(24)25)15-10-13(22)6-9-16(15)21(17)12-4-7-14(26-2)8-5-12/h4-10,22H,3,11H2,1-2H3,(H,24,25)
InChIKeyMSCJUTRNVVQVBU-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.15
Rot. Bonds6

About 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid

2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid (PubChem CID 67021214) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid
PubChem CID67021214
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid
SMILESCCOC(=O)Cc1c(C(=O)O)c2cc(O)ccc2n1-c1ccc(OC)cc1
InChIInChI=1S/C20H19NO6/c1-3-27-18(23)11-17-19(20(24)25)15-10-13(22)6-9-16(15)21(17)12-4-7-14(26-2)8-5-12/h4-10,22H,3,11H2,1-2H3,(H,24,25)
InChIKeyMSCJUTRNVVQVBU-UHFFFAOYSA-N
XLogP3.15
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-2-oxoethyl)-5-hydroxyindole-3-carboxylate
CID 66658069
1-[2-(benzylsulfanylmethyl)-5-hydroxy-1-(4-methoxyphenyl)indol-3-yl]ethanone
CID 1376895
ethyl 5-(4-chlorophenoxy)-2-(2-ethoxy-2-oxoethyl)-1-(4-piperidin-1-ylphenyl)indole-3-carboxylate
CID 66657710
2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate
CID 17138681
ethyl 2-(2-ethoxy-2-oxoethyl)-1-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethyl)phenoxy]indole-3-carboxylate
CID 66657519
ethyl 1-(4-chlorophenyl)-2-(2-ethoxy-2-oxoethyl)-5-[4-(trifluoromethyl)phenoxy]indole-3-carboxylate
CID 66657600
ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate
CID 2076757
ethyl 1-[4-(dimethylamino)phenyl]-2-(2-ethoxy-2-oxoethyl)-5-[4-(trifluoromethyl)phenoxy]indole-3-carboxylate
CID 66657576
1-(4-methoxyphenyl)-2-methylindole-3-carboxylic acid
CID 172684717
[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] acetate
CID 711025
2-(carboxymethyl)-1-[4-[(4-methylphenyl)methoxy]phenyl]-5-(4-propan-2-yloxyphenoxy)indole-3-carboxylic acid
CID 58076200
[1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone
CID 23611477

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid?
The IUPAC name of 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid (CID 67021214) is 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid?
The canonical SMILES for 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid is CCOC(=O)Cc1c(C(=O)O)c2cc(O)ccc2n1-c1ccc(OC)cc1.
What is the InChIKey of 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid?
The InChIKey is MSCJUTRNVVQVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-3-27-18(23)11-17-19(20(24)25)15-10-13(22)6-9-16(15)21(17)12-4-7-14(26-2)8-5-12/h4-10,22H,3,11H2,1-2H3,(H,24,25).
What are the key properties of 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid?
2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid has a molecular weight of 369.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid is sourced from PubChem (CID 67021214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).