phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate

C18H16O3 — CID 18872556

IUPACphenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2occ(CC(=O)Oc3ccccc3)c2c1
InChIInChI=1S/C18H16O3/c1-2-13-8-9-17-16(10-13)14(12-20-17)11-18(19)21-15-6-4-3-5-7-15/h3-10,12H,2,11H2,1H3
InChIKeyDAENSNCSEBJRCC-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.14
Rot. Bonds4

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

phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate (PubChem CID 18872556) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Namephenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate
PubChem CID18872556
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Namephenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2occ(CC(=O)Oc3ccccc3)c2c1
InChIInChI=1S/C18H16O3/c1-2-13-8-9-17-16(10-13)14(12-20-17)11-18(19)21-15-6-4-3-5-7-15/h3-10,12H,2,11H2,1H3
InChIKeyDAENSNCSEBJRCC-UHFFFAOYSA-N
XLogP4.14
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl) 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18860513
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
2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
CID 18860488
N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
CID 18861230
N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872463
2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 18872472
1,3-benzodioxol-5-yl 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8766155
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate (CID 18872556) is phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate is CCc1ccc2occ(CC(=O)Oc3ccccc3)c2c1.
What is the InChIKey of phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate?
The InChIKey is DAENSNCSEBJRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-2-13-8-9-17-16(10-13)14(12-20-17)11-18(19)21-15-6-4-3-5-7-15/h3-10,12H,2,11H2,1H3.
What are the key properties of phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate?
phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate has a molecular weight of 280.32 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 18872556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).