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

C12H14O3 — CID 15732877

IUPAC2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate
SMILESCC(=O)OCCC1COc2ccccc21
InChIInChI=1S/C12H14O3/c1-9(13)14-7-6-10-8-15-12-5-3-2-4-11(10)12/h2-5,10H,6-8H2,1H3
InChIKeyBXMWZKUHSMXGKP-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.12
Rot. Bonds3

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

2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate (PubChem CID 15732877) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate
PubChem CID15732877
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate
SMILESCC(=O)OCCC1COc2ccccc21
InChIInChI=1S/C12H14O3/c1-9(13)14-7-6-10-8-15-12-5-3-2-4-11(10)12/h2-5,10H,6-8H2,1H3
InChIKeyBXMWZKUHSMXGKP-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-3-yl)-2-methylbutanoic acid
CID 81008371
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
2-(9H-fluoren-9-yl)ethyl acetate
CID 134437630
[formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate
CID 102225499
ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate
CID 79226267
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine
CID 79229480
N-(4-acetamidophenyl)-2-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110753843
2,3-dihydro-1-benzofuran-3-ylmethyl 4-aminobenzoate
CID 79229255
3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide
CID 166305920
3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile
CID 79229340
N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 79230229

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate (CID 15732877) is 2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate is CC(=O)OCCC1COc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate?
The InChIKey is BXMWZKUHSMXGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(13)14-7-6-10-8-15-12-5-3-2-4-11(10)12/h2-5,10H,6-8H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate?
2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate has a molecular weight of 206.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate is sourced from PubChem (CID 15732877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).