4-(3-chloro-4-fluorophenoxy)-1-methylindole

C15H11ClFNO — CID 66917826

IUPAC4-(3-chloro-4-fluorophenoxy)-1-methylindole
SMILESCn1ccc2c(Oc3ccc(F)c(Cl)c3)cccc21
InChIInChI=1S/C15H11ClFNO/c1-18-8-7-11-14(18)3-2-4-15(11)19-10-5-6-13(17)12(16)9-10/h2-9H,1H3
InChIKeyINQVCHYXEZXMKS-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.76
Rot. Bonds2

About 4-(3-chloro-4-fluorophenoxy)-1-methylindole

4-(3-chloro-4-fluorophenoxy)-1-methylindole (PubChem CID 66917826) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenoxy)-1-methylindole.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenoxy)-1-methylindole
PubChem CID66917826
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name4-(3-chloro-4-fluorophenoxy)-1-methylindole
SMILESCn1ccc2c(Oc3ccc(F)c(Cl)c3)cccc21
InChIInChI=1S/C15H11ClFNO/c1-18-8-7-11-14(18)3-2-4-15(11)19-10-5-6-13(17)12(16)9-10/h2-9H,1H3
InChIKeyINQVCHYXEZXMKS-UHFFFAOYSA-N
XLogP4.76
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(phenylmethoxy)-1H-indole
CID 88465
{[2-chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl){3-[(1-methyl-1H-indol-4-yl)oxy]propyl}amine
CID 11273187
[2-(3-Chloro-1H-indol-4-yloxy)-ethyl]-(4-phenyl-butyl)-amine
CID 9884480
4-Chloro-7-(propan-2-yloxy)quinoline
CID 78324000
Benzyl-[2-(7-chloro-1H-indol-4-yloxy)-ethyl]-amine
CID 9839319
[2-(3,7-Dichloro-1H-indol-4-yloxy)-ethyl]-(4-fluoro-benzyl)-amine
CID 9884884
5-Chloro-1-(4-fluoro-phenyl)-3-(2-piperidin-1-yl-ethoxy)-1H-indole
CID 10499570
{2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-dimethyl-amine
CID 10544602
{2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-dimethyl-amine
CID 10592734
5-Chloro-1-(4-fluoro-phenyl)-3-(2-morpholin-4-yl-ethoxy)-1H-indole
CID 10595604
4-Chloro-7-(3-phenylpropoxy)quinoline
CID 78324295
6-methoxy-1-methyl-1H-indole
CID 4777929

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenoxy)-1-methylindole?
The IUPAC name of 4-(3-chloro-4-fluorophenoxy)-1-methylindole (CID 66917826) is 4-(3-chloro-4-fluorophenoxy)-1-methylindole.
What is the SMILES notation for 4-(3-chloro-4-fluorophenoxy)-1-methylindole?
The canonical SMILES for 4-(3-chloro-4-fluorophenoxy)-1-methylindole is Cn1ccc2c(Oc3ccc(F)c(Cl)c3)cccc21.
What is the InChIKey of 4-(3-chloro-4-fluorophenoxy)-1-methylindole?
The InChIKey is INQVCHYXEZXMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c1-18-8-7-11-14(18)3-2-4-15(11)19-10-5-6-13(17)12(16)9-10/h2-9H,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenoxy)-1-methylindole?
4-(3-chloro-4-fluorophenoxy)-1-methylindole has a molecular weight of 275.71 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenoxy)-1-methylindole is sourced from PubChem (CID 66917826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).