methyl 2-[1-(methoxymethyl)indol-2-yl]benzoate

C18H17NO3 — CID 59052334

IUPACmethyl 2-[1-(methoxymethyl)indol-2-yl]benzoate
SMILESCOCn1c(-c2ccccc2C(=O)OC)cc2ccccc21
InChIInChI=1S/C18H17NO3/c1-21-12-19-16-10-6-3-7-13(16)11-17(19)14-8-4-5-9-15(14)18(20)22-2/h3-11H,12H2,1-2H3
InChIKeyWPHDMJZNNIZMJM-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.70
Rot. Bonds4

About methyl 2-[1-(methoxymethyl)indol-2-yl]benzoate

methyl 2-[1-(methoxymethyl)indol-2-yl]benzoate (PubChem CID 59052334) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 2-[1-(methoxymethyl)indol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[1-(methoxymethyl)indol-2-yl]benzoate
PubChem CID59052334
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 2-[1-(methoxymethyl)indol-2-yl]benzoate
SMILESCOCn1c(-c2ccccc2C(=O)OC)cc2ccccc21
InChIInChI=1S/C18H17NO3/c1-21-12-19-16-10-6-3-7-13(16)11-17(19)14-8-4-5-9-15(14)18(20)22-2/h3-11H,12H2,1-2H3
InChIKeyWPHDMJZNNIZMJM-UHFFFAOYSA-N
XLogP3.70
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxycarbonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,10,13,15,17-nonaene-9-carboxylic acid
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1-(methoxymethyl)-2-(4-methoxyphenyl)indole
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(methoxymethyl)indol-2-yl]benzoate?
The IUPAC name of methyl 2-[1-(methoxymethyl)indol-2-yl]benzoate (CID 59052334) is methyl 2-[1-(methoxymethyl)indol-2-yl]benzoate.
What is the SMILES notation for methyl 2-[1-(methoxymethyl)indol-2-yl]benzoate?
The canonical SMILES for methyl 2-[1-(methoxymethyl)indol-2-yl]benzoate is COCn1c(-c2ccccc2C(=O)OC)cc2ccccc21.
What is the InChIKey of methyl 2-[1-(methoxymethyl)indol-2-yl]benzoate?
The InChIKey is WPHDMJZNNIZMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-12-19-16-10-6-3-7-13(16)11-17(19)14-8-4-5-9-15(14)18(20)22-2/h3-11H,12H2,1-2H3.
What are the key properties of methyl 2-[1-(methoxymethyl)indol-2-yl]benzoate?
methyl 2-[1-(methoxymethyl)indol-2-yl]benzoate has a molecular weight of 295.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(methoxymethyl)indol-2-yl]benzoate is sourced from PubChem (CID 59052334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).