methyl 3-(2-hydroxyethyl)-1H-indole-6-carboxylate

C12H13NO3 — CID 24794285

IUPACmethyl 3-(2-hydroxyethyl)-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(CCO)c[nH]c2c1
InChIInChI=1S/C12H13NO3/c1-16-12(15)8-2-3-10-9(4-5-14)7-13-11(10)6-8/h2-3,6-7,13-14H,4-5H2,1H3
InChIKeyYDNLNENHCDBKHG-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.49
Rot. Bonds3

About methyl 3-(2-hydroxyethyl)-1H-indole-6-carboxylate

methyl 3-(2-hydroxyethyl)-1H-indole-6-carboxylate (PubChem CID 24794285) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 3-(2-hydroxyethyl)-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxyethyl)-1H-indole-6-carboxylate
PubChem CID24794285
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl 3-(2-hydroxyethyl)-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(CCO)c[nH]c2c1
InChIInChI=1S/C12H13NO3/c1-16-12(15)8-2-3-10-9(4-5-14)7-13-11(10)6-8/h2-3,6-7,13-14H,4-5H2,1H3
InChIKeyYDNLNENHCDBKHG-UHFFFAOYSA-N
XLogP1.49
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxyethyl)-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-(2-hydroxyethyl)-1H-indole-6-carboxylate (CID 24794285) is methyl 3-(2-hydroxyethyl)-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-(2-hydroxyethyl)-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-(2-hydroxyethyl)-1H-indole-6-carboxylate is COC(=O)c1ccc2c(CCO)c[nH]c2c1.
What is the InChIKey of methyl 3-(2-hydroxyethyl)-1H-indole-6-carboxylate?
The InChIKey is YDNLNENHCDBKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-16-12(15)8-2-3-10-9(4-5-14)7-13-11(10)6-8/h2-3,6-7,13-14H,4-5H2,1H3.
What are the key properties of methyl 3-(2-hydroxyethyl)-1H-indole-6-carboxylate?
methyl 3-(2-hydroxyethyl)-1H-indole-6-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxyethyl)-1H-indole-6-carboxylate is sourced from PubChem (CID 24794285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).