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

C22H18O3 — CID 18872546

IUPACnaphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2occ(CC(=O)Oc3cccc4ccccc34)c2c1
InChIInChI=1S/C22H18O3/c1-2-15-10-11-20-19(12-15)17(14-24-20)13-22(23)25-21-9-5-7-16-6-3-4-8-18(16)21/h3-12,14H,2,13H2,1H3
InChIKeyOOTRFYFQGYGYIL-UHFFFAOYSA-N
MW330.38 g/mol
LogP5.30
Rot. Bonds4

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

naphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate (PubChem CID 18872546) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is naphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Namenaphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate
PubChem CID18872546
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Namenaphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2occ(CC(=O)Oc3cccc4ccccc34)c2c1
InChIInChI=1S/C22H18O3/c1-2-15-10-11-20-19(12-15)17(14-24-20)13-22(23)25-21-9-5-7-16-6-3-4-8-18(16)21/h3-12,14H,2,13H2,1H3
InChIKeyOOTRFYFQGYGYIL-UHFFFAOYSA-N
XLogP5.30
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.38
LogP ≤ 55.30
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

phenyl 2-(5-ethyl-1-benzofuran-3-yl)acetate
CID 18872556
(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
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
CID 18860488
N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872463
N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
CID 18861230
(4-chloro-2-methylphenyl) 2-benzo[e][1]benzofuran-1-ylacetate
CID 7931004
N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide
CID 18872538
2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 18872472
(2-methylphenyl) 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
CID 18268972
(4-methylphenyl) 2-(5-methyl-1-benzofuran-3-yl)acetate
CID 18872439

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of naphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate (CID 18872546) is naphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for naphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for naphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate is CCc1ccc2occ(CC(=O)Oc3cccc4ccccc34)c2c1.
What is the InChIKey of naphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate?
The InChIKey is OOTRFYFQGYGYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O3/c1-2-15-10-11-20-19(12-15)17(14-24-20)13-22(23)25-21-9-5-7-16-6-3-4-8-18(16)21/h3-12,14H,2,13H2,1H3.
What are the key properties of naphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate?
naphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate has a molecular weight of 330.38 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 2-(5-ethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 18872546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).