methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate

C12H13NO4 — CID 25148905

IUPACmethyl 6-(methoxymethoxy)-1H-indole-2-carboxylate
SMILESCOCOc1ccc2cc(C(=O)OC)[nH]c2c1
InChIInChI=1S/C12H13NO4/c1-15-7-17-9-4-3-8-5-11(12(14)16-2)13-10(8)6-9/h3-6,13H,7H2,1-2H3
InChIKeyMAOBCBWJACYUJX-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.94
Rot. Bonds4

About methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate

methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate (PubChem CID 25148905) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(methoxymethoxy)-1H-indole-2-carboxylate
PubChem CID25148905
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Namemethyl 6-(methoxymethoxy)-1H-indole-2-carboxylate
SMILESCOCOc1ccc2cc(C(=O)OC)[nH]c2c1
InChIInChI=1S/C12H13NO4/c1-15-7-17-9-4-3-8-5-11(12(14)16-2)13-10(8)6-9/h3-6,13H,7H2,1-2H3
InChIKeyMAOBCBWJACYUJX-UHFFFAOYSA-N
XLogP1.94
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 4-bromo-6-(methoxymethoxy)-1H-indole-2-carboxylate
CID 135358052
methyl 6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indole-2-carboxylate
CID 68772342
methyl 6-[1-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1H-indole-2-carboxylate
CID 21477666
6-(2-methylpropoxy)-1H-indole-2-carboxylic acid
CID 3548668
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
(6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate
CID 165084433
methyl 6-(3-sulfanylprop-1-ynyl)-1H-indole-2-carboxylate
CID 169487509
methyl 5,6-dihydroxy-1H-indole-2-carboxylate
CID 22162548
methyl 5,6-dimethyl-1H-indole-2-carboxylate
CID 10867407
methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate
CID 55912733
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
3-(2-methoxycarbonyl-1H-indol-6-yl)prop-2-enoic acid
CID 169461056

Frequently Asked Questions

What is the IUPAC name of methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate?
The IUPAC name of methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate (CID 25148905) is methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate?
The canonical SMILES for methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate is COCOc1ccc2cc(C(=O)OC)[nH]c2c1.
What is the InChIKey of methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate?
The InChIKey is MAOBCBWJACYUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-15-7-17-9-4-3-8-5-11(12(14)16-2)13-10(8)6-9/h3-6,13H,7H2,1-2H3.
What are the key properties of methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate?
methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 25148905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).