methyl 1-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methylindole-2-carboxylate

C15H17NO5 — CID 174855102

IUPACmethyl 1-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methylindole-2-carboxylate
SMILESCOC(=O)c1cc2cc(C)ccc2n1CC(O)C(=O)OC
InChIInChI=1S/C15H17NO5/c1-9-4-5-11-10(6-9)7-12(14(18)20-2)16(11)8-13(17)15(19)21-3/h4-7,13,17H,8H2,1-3H3
InChIKeyAUEUWFYNPPSXGR-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.27
Rot. Bonds4

About methyl 1-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methylindole-2-carboxylate

methyl 1-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methylindole-2-carboxylate (PubChem CID 174855102) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is methyl 1-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methylindole-2-carboxylate
PubChem CID174855102
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Namemethyl 1-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methylindole-2-carboxylate
SMILESCOC(=O)c1cc2cc(C)ccc2n1CC(O)C(=O)OC
InChIInChI=1S/C15H17NO5/c1-9-4-5-11-10(6-9)7-12(14(18)20-2)16(11)8-13(17)15(19)21-3/h4-7,13,17H,8H2,1-3H3
InChIKeyAUEUWFYNPPSXGR-UHFFFAOYSA-N
XLogP1.27
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methylindole-2-carboxylate?
The IUPAC name of methyl 1-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methylindole-2-carboxylate (CID 174855102) is methyl 1-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methylindole-2-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methylindole-2-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methylindole-2-carboxylate is COC(=O)c1cc2cc(C)ccc2n1CC(O)C(=O)OC.
What is the InChIKey of methyl 1-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methylindole-2-carboxylate?
The InChIKey is AUEUWFYNPPSXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-9-4-5-11-10(6-9)7-12(14(18)20-2)16(11)8-13(17)15(19)21-3/h4-7,13,17H,8H2,1-3H3.
What are the key properties of methyl 1-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methylindole-2-carboxylate?
methyl 1-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methylindole-2-carboxylate has a molecular weight of 291.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxy-3-methoxy-3-oxopropyl)-5-methylindole-2-carboxylate is sourced from PubChem (CID 174855102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).