methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate

C18H16FNO3 — CID 5191010

IUPACmethyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate
SMILESCOC(=O)c1ccc2ccn(CCOc3ccc(F)cc3)c2c1
InChIInChI=1S/C18H16FNO3/c1-22-18(21)14-3-2-13-8-9-20(17(13)12-14)10-11-23-16-6-4-15(19)5-7-16/h2-9,12H,10-11H2,1H3
InChIKeyRNEDLIIVSJDYGK-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.65
Rot. Bonds5

About methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate

methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate (PubChem CID 5191010) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate
PubChem CID5191010
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Namemethyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate
SMILESCOC(=O)c1ccc2ccn(CCOc3ccc(F)cc3)c2c1
InChIInChI=1S/C18H16FNO3/c1-22-18(21)14-3-2-13-8-9-20(17(13)12-14)10-11-23-16-6-4-15(19)5-7-16/h2-9,12H,10-11H2,1H3
InChIKeyRNEDLIIVSJDYGK-UHFFFAOYSA-N
XLogP3.65
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(4-chloro-3-methylphenoxy)ethyl]indole-6-carboxylate
CID 4985597
methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate
CID 170703946
methyl 1-ethylindole-6-carboxylate
CID 22467242
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
methyl 1-[2-[3-[(dimethylamino)methyl]phenoxy]ethyl]indole-6-carboxylate;methyl 1-[2-(3-formylphenoxy)ethyl]indole-6-carboxylate;N-methylmethanamine
CID 158788090
1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid
CID 58213856
methyl 2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257964
1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid
CID 63748417
1-[2-(4-chloro-2-fluorophenoxy)ethyl]-N-hydroxyindole-6-carboxamide
CID 87266182
3-[2-(6-fluoroindol-1-yl)ethoxy]aniline
CID 43365850
methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate
CID 118096526
1-[2-(3-methylbutoxy)ethyl]indole-6-carboxylic acid
CID 63748611

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate?
The IUPAC name of methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate (CID 5191010) is methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate?
The canonical SMILES for methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate is COC(=O)c1ccc2ccn(CCOc3ccc(F)cc3)c2c1.
What is the InChIKey of methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate?
The InChIKey is RNEDLIIVSJDYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-22-18(21)14-3-2-13-8-9-20(17(13)12-14)10-11-23-16-6-4-15(19)5-7-16/h2-9,12H,10-11H2,1H3.
What are the key properties of methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate?
methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate has a molecular weight of 313.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate is sourced from PubChem (CID 5191010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).