1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole

C18H18FNO2 — CID 117171919

IUPAC1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole
SMILESCCn1cc(COc2cccc(OC)c2)c2c(F)cccc21
InChIInChI=1S/C18H18FNO2/c1-3-20-11-13(18-16(19)8-5-9-17(18)20)12-22-15-7-4-6-14(10-15)21-2/h4-11H,3,12H2,1-2H3
InChIKeyYDOCHSJEFOFVTF-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.39
Rot. Bonds5

About 1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole

1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole (PubChem CID 117171919) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole.

Molecular Properties

Compound Name1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole
PubChem CID117171919
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole
SMILESCCn1cc(COc2cccc(OC)c2)c2c(F)cccc21
InChIInChI=1S/C18H18FNO2/c1-3-20-11-13(18-16(19)8-5-9-17(18)20)12-22-15-7-4-6-14(10-15)21-2/h4-11H,3,12H2,1-2H3
InChIKeyYDOCHSJEFOFVTF-UHFFFAOYSA-N
XLogP4.39
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole
CID 117171901
1-ethyl-3-[(3-hydroxyphenoxy)methyl]indol-4-ol
CID 117171916
1-ethyl-3-(phenoxymethyl)indol-4-amine
CID 117171827
4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171977
3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol
CID 117184653
1-ethyl-3-[(2-fluorophenoxy)methyl]-4-methylindole
CID 117184639
[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-4-yl]methanamine
CID 117171659
1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol
CID 117119655
1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole
CID 117185749
3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175607
6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117179005
2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile
CID 107115097

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole?
The IUPAC name of 1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole (CID 117171919) is 1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole.
What is the SMILES notation for 1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole?
The canonical SMILES for 1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole is CCn1cc(COc2cccc(OC)c2)c2c(F)cccc21.
What is the InChIKey of 1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole?
The InChIKey is YDOCHSJEFOFVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-3-20-11-13(18-16(19)8-5-9-17(18)20)12-22-15-7-4-6-14(10-15)21-2/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole?
1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole has a molecular weight of 299.35 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole is sourced from PubChem (CID 117171919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).