6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid

C19H15FO4 — CID 142773369

IUPAC6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
SMILESCCc1cc2c(C(=O)O)c(-c3ccc(F)cc3)oc2cc1C(C)=O
InChIInChI=1S/C19H15FO4/c1-3-11-8-15-16(9-14(11)10(2)21)24-18(17(15)19(22)23)12-4-6-13(20)7-5-12/h4-9H,3H2,1-2H3,(H,22,23)
InChIKeyDLRLVNDGYYNTHT-UHFFFAOYSA-N
MW326.32 g/mol
LogP4.70
Rot. Bonds4

About 6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid

6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid (PubChem CID 142773369) has the molecular formula C19H15FO4 and a molecular weight of 326.32 g/mol. Its IUPAC name is 6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
PubChem CID142773369
Molecular FormulaC19H15FO4
Molecular Weight326.32 g/mol
Exact Mass326.10
IUPAC Name6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
SMILESCCc1cc2c(C(=O)O)c(-c3ccc(F)cc3)oc2cc1C(C)=O
InChIInChI=1S/C19H15FO4/c1-3-11-8-15-16(9-14(11)10(2)21)24-18(17(15)19(22)23)12-4-6-13(20)7-5-12/h4-9H,3H2,1-2H3,(H,22,23)
InChIKeyDLRLVNDGYYNTHT-UHFFFAOYSA-N
XLogP4.70
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid 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

6-acetyl-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 149158318
5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773376
6-(diethylamino)-5-ethoxy-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773431
6-[(dimethylamino)methyl]-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773399
5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773378
3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate
CID 86640863
5-acetyl-2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide
CID 70800629
2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 154212021
2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid
CID 121481080
6-(carbamoylamino)-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 142773577
ethyl 6-carbamoyl-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylate
CID 68683187
2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 59275666

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid (CID 142773369) is 6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid is CCc1cc2c(C(=O)O)c(-c3ccc(F)cc3)oc2cc1C(C)=O.
What is the InChIKey of 6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid?
The InChIKey is DLRLVNDGYYNTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO4/c1-3-11-8-15-16(9-14(11)10(2)21)24-18(17(15)19(22)23)12-4-6-13(20)7-5-12/h4-9H,3H2,1-2H3,(H,22,23).
What are the key properties of 6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid?
6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid has a molecular weight of 326.32 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 142773369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).