[2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

C19H15FO5 — CID 8675985

IUPAC[2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCC(=O)c3cccc(F)c3)c(C)c2c1
InChIInChI=1S/C19H15FO5/c1-11-15-9-14(23-2)6-7-17(15)25-18(11)19(22)24-10-16(21)12-4-3-5-13(20)8-12/h3-9H,10H2,1-2H3
InChIKeyHSCPDTBLJNBPRV-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.93
Rot. Bonds5

About [2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

[2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 8675985) has the molecular formula C19H15FO5 and a molecular weight of 342.32 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID8675985
Molecular FormulaC19H15FO5
Molecular Weight342.32 g/mol
Exact Mass342.09
IUPAC Name[2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCC(=O)c3cccc(F)c3)c(C)c2c1
InChIInChI=1S/C19H15FO5/c1-11-15-9-14(23-2)6-7-17(15)25-18(11)19(22)24-10-16(21)12-4-3-5-13(20)8-12/h3-9H,10H2,1-2H3
InChIKeyHSCPDTBLJNBPRV-UHFFFAOYSA-N
XLogP3.93
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate 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

[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186841
[2-(4-fluoroanilino)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270348
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186827
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270221
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 55305040
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 55399755
[2-(4-acetamidoanilino)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270392
[2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186892
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 8852194
[2-oxo-2-(2-phenoxyethylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 8522616
[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7704618
(4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186927

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (CID 8675985) is [2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is COc1ccc2oc(C(=O)OCC(=O)c3cccc(F)c3)c(C)c2c1.
What is the InChIKey of [2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is HSCPDTBLJNBPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO5/c1-11-15-9-14(23-2)6-7-17(15)25-18(11)19(22)24-10-16(21)12-4-3-5-13(20)8-12/h3-9H,10H2,1-2H3.
What are the key properties of [2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
[2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 342.32 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 8675985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).