methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate

C17H13F2NO3 — CID 167504860

IUPACmethyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate
SMILESCOC(=O)c1cc(Oc2c(F)cc3[nH]ccc3c2C)ccc1F
InChIInChI=1S/C17H13F2NO3/c1-9-11-5-6-20-15(11)8-14(19)16(9)23-10-3-4-13(18)12(7-10)17(21)22-2/h3-8,20H,1-2H3
InChIKeyRSEUFBSYLCIFKR-UHFFFAOYSA-N
MW317.29 g/mol
LogP4.33
Rot. Bonds3

About methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate

methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate (PubChem CID 167504860) has the molecular formula C17H13F2NO3 and a molecular weight of 317.29 g/mol. Its IUPAC name is methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate
PubChem CID167504860
Molecular FormulaC17H13F2NO3
Molecular Weight317.29 g/mol
Exact Mass317.09
IUPAC Namemethyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate
SMILESCOC(=O)c1cc(Oc2c(F)cc3[nH]ccc3c2C)ccc1F
InChIInChI=1S/C17H13F2NO3/c1-9-11-5-6-20-15(11)8-14(19)16(9)23-10-3-4-13(18)12(7-10)17(21)22-2/h3-8,20H,1-2H3
InChIKeyRSEUFBSYLCIFKR-UHFFFAOYSA-N
XLogP4.33
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole
CID 167505847
methyl 6-fluoro-5-(4-fluoro-3-isocyanophenoxy)-1H-indole-4-carboxylate
CID 176798897
1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone
CID 171078931
5-[(4-ethenyl-6-fluoro-1H-indol-5-yl)oxy]-2-fluorobenzamide
CID 171077936
methyl 6-fluoro-1H-indole-4-carboxylate
CID 46835634
methyl 3-[5-(3-carbamimidoyl-4-fluorophenoxy)-6-fluoro-1H-indol-4-yl]-2,2-dimethylpropanoate
CID 171078351
methyl 6-hydroxy-1H-indole-4-carboxylate
CID 76846746
5-[[4-(2,2-difluoroethyl)-6-fluoro-1H-indol-5-yl]oxy]-2-fluorobenzenecarboximidamide
CID 167504472
methyl 5-benzyl-2-[2-fluoro-5-[(6-fluoro-4-methylsulfanyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazole-4-carboxylate
CID 167504417
methyl 3-[(4-methyl-1H-indol-5-yl)oxy]benzoate
CID 167505464
3-[3-[[2-[2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]phenyl]-1H-imidazol-5-yl]-methoxymethyl]phenyl]propanoic acid
CID 167505021
ethane;methyl 5-fluoro-3-methyl-1H-indole-6-carboxylate
CID 145387851

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate?
The IUPAC name of methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate (CID 167504860) is methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate.
What is the SMILES notation for methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate?
The canonical SMILES for methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate is COC(=O)c1cc(Oc2c(F)cc3[nH]ccc3c2C)ccc1F.
What is the InChIKey of methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate?
The InChIKey is RSEUFBSYLCIFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO3/c1-9-11-5-6-20-15(11)8-14(19)16(9)23-10-3-4-13(18)12(7-10)17(21)22-2/h3-8,20H,1-2H3.
What are the key properties of methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate?
methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate has a molecular weight of 317.29 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-[(6-fluoro-4-methyl-1H-indol-5-yl)oxy]benzoate is sourced from PubChem (CID 167504860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).