methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate

C19H17NO4 — CID 703715

IUPACmethyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)COc2ccccc2C)c2ccccc12
InChIInChI=1S/C19H17NO4/c1-13-7-3-6-10-17(13)24-12-18(21)20-11-15(19(22)23-2)14-8-4-5-9-16(14)20/h3-11H,12H2,1-2H3
InChIKeyFFUXTYNDBLSBPT-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.46
Rot. Bonds4

About methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate

methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate (PubChem CID 703715) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate
PubChem CID703715
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namemethyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)COc2ccccc2C)c2ccccc12
InChIInChI=1S/C19H17NO4/c1-13-7-3-6-10-17(13)24-12-18(21)20-11-15(19(22)23-2)14-8-4-5-9-16(14)20/h3-11H,12H2,1-2H3
InChIKeyFFUXTYNDBLSBPT-UHFFFAOYSA-N
XLogP3.46
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-phenoxyacetyl)indole-3-carboxylate
CID 4039555
1-[2-(2,3-dimethylphenoxy)acetyl]indole-3-carboxylic acid
CID 99965438
methyl 1-[2-(4-bromophenoxy)acetyl]indole-3-carboxylate
CID 1370349
methyl 1-(4-oxopentanoyl)indole-3-carboxylate
CID 46243075
1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide
CID 99965957
1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide
CID 99965961
methyl 1-[(E)-1-bromo-2-iodo-2-phenylethenyl]indole-3-carboxylate
CID 102359655
methyl 1-(3,4-dimethoxybenzoyl)indole-3-carboxylate
CID 703705
methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate
CID 925279
1-[2-(2-bromo-4,6-dimethylphenoxy)acetyl]indole-3-carboxylic acid
CID 99967709
methyl 1-(4-iodobenzoyl)indole-3-carboxylate
CID 1154177
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate (CID 703715) is methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate is COC(=O)c1cn(C(=O)COc2ccccc2C)c2ccccc12.
What is the InChIKey of methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate?
The InChIKey is FFUXTYNDBLSBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-13-7-3-6-10-17(13)24-12-18(21)20-11-15(19(22)23-2)14-8-4-5-9-16(14)20/h3-11H,12H2,1-2H3.
What are the key properties of methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate?
methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate is sourced from PubChem (CID 703715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).