2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole

C18H19NO2 — CID 117185409

IUPAC2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole
SMILESCOc1ccc(OCc2cc3cc(C)ccc3n2C)cc1
InChIInChI=1S/C18H19NO2/c1-13-4-9-18-14(10-13)11-15(19(18)2)12-21-17-7-5-16(20-3)6-8-17/h4-11H,12H2,1-3H3
InChIKeyBJIYCRHJUOVYON-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.07
Rot. Bonds4

About 2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole

2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole (PubChem CID 117185409) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole
PubChem CID117185409
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole
SMILESCOc1ccc(OCc2cc3cc(C)ccc3n2C)cc1
InChIInChI=1S/C18H19NO2/c1-13-4-9-18-14(10-13)11-15(19(18)2)12-21-17-7-5-16(20-3)6-8-17/h4-11H,12H2,1-3H3
InChIKeyBJIYCRHJUOVYON-UHFFFAOYSA-N
XLogP4.07
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole (CID 117185409) is 2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole is COc1ccc(OCc2cc3cc(C)ccc3n2C)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole?
The InChIKey is BJIYCRHJUOVYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-4-9-18-14(10-13)11-15(19(18)2)12-21-17-7-5-16(20-3)6-8-17/h4-11H,12H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole?
2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole has a molecular weight of 281.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole is sourced from PubChem (CID 117185409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).