ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate

C12H14O3 — CID 114746699

IUPACethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate
SMILESCCOC(=O)Cc1cccc2c1OCC2
InChIInChI=1S/C12H14O3/c1-2-14-11(13)8-10-5-3-4-9-6-7-15-12(9)10/h3-5H,2,6-8H2,1H3
InChIKeyXNYRHJYKZDNHKP-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.73
Rot. Bonds3

About ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate

ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate (PubChem CID 114746699) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate
PubChem CID114746699
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nameethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate
SMILESCCOC(=O)Cc1cccc2c1OCC2
InChIInChI=1S/C12H14O3/c1-2-14-11(13)8-10-5-3-4-9-6-7-15-12(9)10/h3-5H,2,6-8H2,1H3
InChIKeyXNYRHJYKZDNHKP-UHFFFAOYSA-N
XLogP1.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate
CID 114746816
ethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate
CID 59314171
2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide
CID 83878008
3-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylpropanoic acid
CID 117314085
ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate
CID 174245310
ethyl 2-(7-acetyloxy-2,3-dihydro-1-benzofuran-5-yl)acetate
CID 58847566
(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
CID 131577312
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
7-(isocyanatomethyl)-2,3-dihydro-1-benzofuran
CID 117277211
ethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate
CID 166125661
ethyl 2-(2-hydroxy-2-oxo-1,3,2λ5-benzodioxaphosphol-4-yl)acetate
CID 151175243
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate?
The IUPAC name of ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate (CID 114746699) is ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate is CCOC(=O)Cc1cccc2c1OCC2.
What is the InChIKey of ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate?
The InChIKey is XNYRHJYKZDNHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-14-11(13)8-10-5-3-4-9-6-7-15-12(9)10/h3-5H,2,6-8H2,1H3.
What are the key properties of ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate?
ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate has a molecular weight of 206.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate is sourced from PubChem (CID 114746699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).