ethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate

C24H27NO6 — CID 69378945

IUPACethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate
SMILESCCOC(=O)Cc1[nH]c2ccc(O)c(-c3ccc(OC(C)C)cc3)c2c1C(=O)OCC
InChIInChI=1S/C24H27NO6/c1-5-29-20(27)13-18-23(24(28)30-6-2)22-17(25-18)11-12-19(26)21(22)15-7-9-16(10-8-15)31-14(3)4/h7-12,14,25-26H,5-6,13H2,1-4H3
InChIKeyZGUQWCJPKPKPJN-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.61
Rot. Bonds8

About ethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate

ethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate (PubChem CID 69378945) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is ethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate
PubChem CID69378945
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Nameethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate
SMILESCCOC(=O)Cc1[nH]c2ccc(O)c(-c3ccc(OC(C)C)cc3)c2c1C(=O)OCC
InChIInChI=1S/C24H27NO6/c1-5-29-20(27)13-18-23(24(28)30-6-2)22-17(25-18)11-12-19(26)21(22)15-7-9-16(10-8-15)31-14(3)4/h7-12,14,25-26H,5-6,13H2,1-4H3
InChIKeyZGUQWCJPKPKPJN-UHFFFAOYSA-N
XLogP4.61
TPSA97.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-ylphenyl)-1H-indole-3-carboxylate
CID 69467018
ethyl 5-[(3-carbamoyl-2-pyridinyl)oxy]-2-(2-ethoxy-2-oxoethyl)-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate
CID 69465383
ethyl 3-[2,2-dimethylpropanoyl(methyl)amino]-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylate
CID 69379470
ethyl 5-(3,5-dichlorophenoxy)-2-(2-ethoxy-2-oxoethyl)-4-[4-(trifluoromethoxy)phenyl]-1H-indole-3-carboxylate
CID 69473465
ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate
CID 82553048
acetyl chloride;ethyl 5-acetyloxy-3-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylate
CID 87803026
ethyl 3-(4-propan-2-yloxyphenyl)-5-[4-(trifluoromethyl)phenoxy]-1H-indole-2-carboxylate
CID 69382649
ethyl 2-(2-ethoxy-2-oxoethyl)-4-hydroxy-5-methyl-1H-pyrrole-3-carboxylate
CID 70534092
ethyl 3-iodo-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-2-carboxylate
CID 69492242
ethyl 7-methoxy-4-oxo-2-(3-propan-2-yloxyphenyl)-1H-quinoline-3-carboxylate
CID 71453508
ethyl (3S)-3-[4-[4-[4-[(2S)-4-ethoxy-4-oxobutan-2-yl]oxyphenyl]phenyl]phenoxy]butanoate
CID 67763826
ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 4201753

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate?
The IUPAC name of ethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate (CID 69378945) is ethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate is CCOC(=O)Cc1[nH]c2ccc(O)c(-c3ccc(OC(C)C)cc3)c2c1C(=O)OCC.
What is the InChIKey of ethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate?
The InChIKey is ZGUQWCJPKPKPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO6/c1-5-29-20(27)13-18-23(24(28)30-6-2)22-17(25-18)11-12-19(26)21(22)15-7-9-16(10-8-15)31-14(3)4/h7-12,14,25-26H,5-6,13H2,1-4H3.
What are the key properties of ethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate?
ethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate has a molecular weight of 425.48 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxy-2-oxoethyl)-5-hydroxy-4-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxylate is sourced from PubChem (CID 69378945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).