7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole

C17H16FNO2 — CID 117183688

IUPAC7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole
SMILESCOc1cccc(OCc2cc3cccc(F)c3n2C)c1
InChIInChI=1S/C17H16FNO2/c1-19-13(9-12-5-3-8-16(18)17(12)19)11-21-15-7-4-6-14(10-15)20-2/h3-10H,11H2,1-2H3
InChIKeyUBEBCHIEIAGGJQ-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.90
Rot. Bonds4

About 7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole

7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole (PubChem CID 117183688) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole.

Molecular Properties

Compound Name7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole
PubChem CID117183688
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole
SMILESCOc1cccc(OCc2cc3cccc(F)c3n2C)c1
InChIInChI=1S/C17H16FNO2/c1-19-13(9-12-5-3-8-16(18)17(12)19)11-21-15-7-4-6-14(10-15)20-2/h3-10H,11H2,1-2H3
InChIKeyUBEBCHIEIAGGJQ-UHFFFAOYSA-N
XLogP3.90
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine
CID 117183684
7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole
CID 117183717
7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole
CID 117183745
1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole
CID 117186591
2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole
CID 117186521
4-fluoro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173305
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43222244
4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173307
2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
CID 117176767
5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole
CID 117176769
1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole
CID 117184270

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole?
The IUPAC name of 7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole (CID 117183688) is 7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole.
What is the SMILES notation for 7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole?
The canonical SMILES for 7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole is COc1cccc(OCc2cc3cccc(F)c3n2C)c1.
What is the InChIKey of 7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole?
The InChIKey is UBEBCHIEIAGGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-19-13(9-12-5-3-8-16(18)17(12)19)11-21-15-7-4-6-14(10-15)20-2/h3-10H,11H2,1-2H3.
What are the key properties of 7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole?
7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole has a molecular weight of 285.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole is sourced from PubChem (CID 117183688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).