(4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate

C18H15FO3 — CID 18860513

IUPAC(4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2occ(CC(=O)Oc3ccc(F)cc3)c2c1
InChIInChI=1S/C18H15FO3/c1-2-12-3-8-17-16(9-12)13(11-21-17)10-18(20)22-15-6-4-14(19)5-7-15/h3-9,11H,2,10H2,1H3
InChIKeyBZNQDVGQHPBJMF-UHFFFAOYSA-N
MW298.31 g/mol
LogP4.28
Rot. Bonds4

About (4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate

(4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate (PubChem CID 18860513) has the molecular formula C18H15FO3 and a molecular weight of 298.31 g/mol. Its IUPAC name is (4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate
PubChem CID18860513
Molecular FormulaC18H15FO3
Molecular Weight298.31 g/mol
Exact Mass298.10
IUPAC Name(4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2occ(CC(=O)Oc3ccc(F)cc3)c2c1
InChIInChI=1S/C18H15FO3/c1-2-12-3-8-17-16(9-12)13(11-21-17)10-18(20)22-15-6-4-14(19)5-7-15/h3-9,11H,2,10H2,1H3
InChIKeyBZNQDVGQHPBJMF-UHFFFAOYSA-N
XLogP4.28
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate 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

phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872556
pyridin-3-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872561
naphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872546
(4-methylphenyl) 2-(5-methyl-1-benzofuran-3-yl)acetate
CID 18872439
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
(4-chlorophenyl) 2-(5-methyl-1-benzofuran-3-yl)acetate
CID 18860472
[4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2713459
1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8766155
(4-fluorophenyl) 5-ethyl-3-methyl-1-benzofuran-2-carboxylate
CID 2964614
(4-iodophenyl) 2-(5-bromo-1-benzofuran-3-yl)acetate
CID 18860444
N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide
CID 18872538
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8737699

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of (4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate (CID 18860513) is (4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for (4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate is CCc1ccc2occ(CC(=O)Oc3ccc(F)cc3)c2c1.
What is the InChIKey of (4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate?
The InChIKey is BZNQDVGQHPBJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO3/c1-2-12-3-8-17-16(9-12)13(11-21-17)10-18(20)22-15-6-4-14(19)5-7-15/h3-9,11H,2,10H2,1H3.
What are the key properties of (4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate?
(4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate has a molecular weight of 298.31 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 18860513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).