4-ethoxy-5-methoxy-1H-indole-2-carboxylate

C12H12NO4- — CID 7141873

IUPAC4-ethoxy-5-methoxy-1H-indole-2-carboxylate
SMILESCCOc1c(OC)ccc2[nH]c(C(=O)[O-])cc12
InChIInChI=1S/C12H13NO4/c1-3-17-11-7-6-9(12(14)15)13-8(7)4-5-10(11)16-2/h4-6,13H,3H2,1-2H3,(H,14,15)/p-1
InChIKeyFWASDTPLNNWWDM-UHFFFAOYSA-M
MW234.23 g/mol
LogP0.94
Rot. Bonds4

About 4-ethoxy-5-methoxy-1H-indole-2-carboxylate

4-ethoxy-5-methoxy-1H-indole-2-carboxylate (PubChem CID 7141873) has the molecular formula C12H12NO4- and a molecular weight of 234.23 g/mol. Its IUPAC name is 4-ethoxy-5-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Name4-ethoxy-5-methoxy-1H-indole-2-carboxylate
PubChem CID7141873
Molecular FormulaC12H12NO4-
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name4-ethoxy-5-methoxy-1H-indole-2-carboxylate
SMILESCCOc1c(OC)ccc2[nH]c(C(=O)[O-])cc12
InChIInChI=1S/C12H13NO4/c1-3-17-11-7-6-9(12(14)15)13-8(7)4-5-10(11)16-2/h4-6,13H,3H2,1-2H3,(H,14,15)/p-1
InChIKeyFWASDTPLNNWWDM-UHFFFAOYSA-M
XLogP0.94
TPSA74.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate
CID 90682247
3-ethoxy-4-methoxybenzoate
CID 7020473
ethyl 2-(4-methoxy-1H-indol-2-yl)-2-oxoacetate
CID 115072498
3-ethoxy-2,4-dimethoxybenzoic acid
CID 171009382
1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone
CID 131380189
4-formyloxy-5-(oxiran-2-ylmethoxy)-1H-indole-2-carboxylate
CID 18315930
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
2-(2-ethoxy-3-methoxyphenyl)acetate
CID 7139419
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
2-ethoxy-3,4-dimethoxybenzamide
CID 141309813
4-methoxy-5-methyl-1H-indole-2-carboxylic acid
CID 4262975
1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methoxy-1H-indole-2-carboxylate?
The IUPAC name of 4-ethoxy-5-methoxy-1H-indole-2-carboxylate (CID 7141873) is 4-ethoxy-5-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for 4-ethoxy-5-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for 4-ethoxy-5-methoxy-1H-indole-2-carboxylate is CCOc1c(OC)ccc2[nH]c(C(=O)[O-])cc12.
What is the InChIKey of 4-ethoxy-5-methoxy-1H-indole-2-carboxylate?
The InChIKey is FWASDTPLNNWWDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H13NO4/c1-3-17-11-7-6-9(12(14)15)13-8(7)4-5-10(11)16-2/h4-6,13H,3H2,1-2H3,(H,14,15)/p-1.
What are the key properties of 4-ethoxy-5-methoxy-1H-indole-2-carboxylate?
4-ethoxy-5-methoxy-1H-indole-2-carboxylate has a molecular weight of 234.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 7141873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).