3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole

C20H23NO2 — CID 117186325

IUPAC3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole
SMILESCOc1ccc(OCc2cn(C(C)C)c3c(C)cccc23)cc1
InChIInChI=1S/C20H23NO2/c1-14(2)21-12-16(19-7-5-6-15(3)20(19)21)13-23-18-10-8-17(22-4)9-11-18/h5-12,14H,13H2,1-4H3
InChIKeyNYBPQFPFWNEIFG-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.12
Rot. Bonds5

About 3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole

3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole (PubChem CID 117186325) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole.

Molecular Properties

Compound Name3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole
PubChem CID117186325
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole
SMILESCOc1ccc(OCc2cn(C(C)C)c3c(C)cccc23)cc1
InChIInChI=1S/C20H23NO2/c1-14(2)21-12-16(19-7-5-6-15(3)20(19)21)13-23-18-10-8-17(22-4)9-11-18/h5-12,14H,13H2,1-4H3
InChIKeyNYBPQFPFWNEIFG-UHFFFAOYSA-N
XLogP5.12
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethyl)-7-methyl-1-propan-2-ylindole
CID 117186336
3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine
CID 117181993
7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117182438
4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171977
3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole
CID 117186319
1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole
CID 117186248
6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117179005
3-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197927
2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117182430
1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine
CID 117182559
O-[(7-chloro-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117197683
[3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine
CID 117181707

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole?
The IUPAC name of 3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole (CID 117186325) is 3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole.
What is the SMILES notation for 3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole?
The canonical SMILES for 3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole is COc1ccc(OCc2cn(C(C)C)c3c(C)cccc23)cc1.
What is the InChIKey of 3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole?
The InChIKey is NYBPQFPFWNEIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14(2)21-12-16(19-7-5-6-15(3)20(19)21)13-23-18-10-8-17(22-4)9-11-18/h5-12,14H,13H2,1-4H3.
What are the key properties of 3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole?
3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole has a molecular weight of 309.41 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole is sourced from PubChem (CID 117186325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).