methyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate

C18H14FNO4 — CID 58303879

IUPACmethyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate
SMILESCOC(=O)C(=O)c1c[nH]c2cc(F)cc(OCc3ccccc3)c12
InChIInChI=1S/C18H14FNO4/c1-23-18(22)17(21)13-9-20-14-7-12(19)8-15(16(13)14)24-10-11-5-3-2-4-6-11/h2-9,20H,10H2,1H3
InChIKeyGKSOVPZIEFJEDM-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.24
Rot. Bonds5

About methyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate

methyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate (PubChem CID 58303879) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is methyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate
PubChem CID58303879
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Namemethyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate
SMILESCOC(=O)C(=O)c1c[nH]c2cc(F)cc(OCc3ccccc3)c12
InChIInChI=1S/C18H14FNO4/c1-23-18(22)17(21)13-9-20-14-7-12(19)8-15(16(13)14)24-10-11-5-3-2-4-6-11/h2-9,20H,10H2,1H3
InChIKeyGKSOVPZIEFJEDM-UHFFFAOYSA-N
XLogP3.24
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate?
The IUPAC name of methyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate (CID 58303879) is methyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate.
What is the SMILES notation for methyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate?
The canonical SMILES for methyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate is COC(=O)C(=O)c1c[nH]c2cc(F)cc(OCc3ccccc3)c12.
What is the InChIKey of methyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate?
The InChIKey is GKSOVPZIEFJEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-23-18(22)17(21)13-9-20-14-7-12(19)8-15(16(13)14)24-10-11-5-3-2-4-6-11/h2-9,20H,10H2,1H3.
What are the key properties of methyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate?
methyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate has a molecular weight of 327.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-fluoro-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetate is sourced from PubChem (CID 58303879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).