2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole

C17H16FNO — CID 117186521

IUPAC2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole
SMILESCc1cccc2cc(COc3ccc(F)cc3)n(C)c12
InChIInChI=1S/C17H16FNO/c1-12-4-3-5-13-10-15(19(2)17(12)13)11-20-16-8-6-14(18)7-9-16/h3-10H,11H2,1-2H3
InChIKeyLXAATMDNUOKYRE-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.20
Rot. Bonds3

About 2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole

2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole (PubChem CID 117186521) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole
PubChem CID117186521
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole
SMILESCc1cccc2cc(COc3ccc(F)cc3)n(C)c12
InChIInChI=1S/C17H16FNO/c1-12-4-3-5-13-10-15(19(2)17(12)13)11-20-16-8-6-14(18)7-9-16/h3-10H,11H2,1-2H3
InChIKeyLXAATMDNUOKYRE-UHFFFAOYSA-N
XLogP4.20
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole
CID 117183717
7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole
CID 117183688
7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole
CID 117183745
[2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117176551
1-ethyl-5-fluoro-2-[(4-fluorophenoxy)methyl]indole
CID 117177295
N-[(1,7-dimethylindol-2-yl)methyl]ethanamine
CID 117186537
2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine
CID 117183684
2-ethyl-7-methoxy-1-methylindole
CID 84662166
2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole
CID 117185478
2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
CID 117176767
1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole
CID 117186591
2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole
CID 117184865

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole (CID 117186521) is 2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole is Cc1cccc2cc(COc3ccc(F)cc3)n(C)c12.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole?
The InChIKey is LXAATMDNUOKYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-12-4-3-5-13-10-15(19(2)17(12)13)11-20-16-8-6-14(18)7-9-16/h3-10H,11H2,1-2H3.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole?
2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole has a molecular weight of 269.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole is sourced from PubChem (CID 117186521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).