ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate

C14H16O5 — CID 54458812

IUPACethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
SMILESCCOC(=O)C(OC(C)=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H16O5/c1-3-17-14(16)13(19-9(2)15)11-4-5-12-10(8-11)6-7-18-12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyXADIZYIOVGAVKD-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.79
Rot. Bonds4

About ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate

ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate (PubChem CID 54458812) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
PubChem CID54458812
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Nameethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
SMILESCCOC(=O)C(OC(C)=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H16O5/c1-3-17-14(16)13(19-9(2)15)11-4-5-12-10(8-11)6-7-18-12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyXADIZYIOVGAVKD-UHFFFAOYSA-N
XLogP1.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 23335826
ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate
CID 71803417
ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 60997932
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]acetamide
CID 43754741
ethyl 4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]butanoate
CID 64579498
2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetamide
CID 62225836
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid
CID 103377869
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-2,3-dihydroxypropanoate
CID 171864210

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
The IUPAC name of ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate (CID 54458812) is ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate.
What is the SMILES notation for ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
The canonical SMILES for ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate is CCOC(=O)C(OC(C)=O)c1ccc2c(c1)CCO2.
What is the InChIKey of ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
The InChIKey is XADIZYIOVGAVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-3-17-14(16)13(19-9(2)15)11-4-5-12-10(8-11)6-7-18-12/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate has a molecular weight of 264.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate is sourced from PubChem (CID 54458812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).