methyl 1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate

C19H19NO3 — CID 951968

IUPACmethyl 1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CCOc2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C19H19NO3/c1-14-7-9-15(10-8-14)23-12-11-20-13-17(19(21)22-2)16-5-3-4-6-18(16)20/h3-10,13H,11-12H2,1-2H3
InChIKeyGZFPXVWYSFEGTR-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.82
Rot. Bonds5

About methyl 1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate

methyl 1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate (PubChem CID 951968) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate
PubChem CID951968
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl 1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CCOc2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C19H19NO3/c1-14-7-9-15(10-8-14)23-12-11-20-13-17(19(21)22-2)16-5-3-4-6-18(16)20/h3-10,13H,11-12H2,1-2H3
InChIKeyGZFPXVWYSFEGTR-UHFFFAOYSA-N
XLogP3.82
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate (CID 951968) is methyl 1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate is COC(=O)c1cn(CCOc2ccc(C)cc2)c2ccccc12.
What is the InChIKey of methyl 1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate?
The InChIKey is GZFPXVWYSFEGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-14-7-9-15(10-8-14)23-12-11-20-13-17(19(21)22-2)16-5-3-4-6-18(16)20/h3-10,13H,11-12H2,1-2H3.
What are the key properties of methyl 1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate?
methyl 1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-methylphenoxy)ethyl]indole-3-carboxylate is sourced from PubChem (CID 951968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).