ethyl 2-(3,6-dihydroxy-2H-1-benzofuran-3-yl)-2-methylpropanoate

C14H18O5 — CID 55071894

IUPACethyl 2-(3,6-dihydroxy-2H-1-benzofuran-3-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)C1(O)COc2cc(O)ccc21
InChIInChI=1S/C14H18O5/c1-4-18-12(16)13(2,3)14(17)8-19-11-7-9(15)5-6-10(11)14/h5-7,15,17H,4,8H2,1-3H3
InChIKeyDHKKCUMYFMYAIR-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.56
Rot. Bonds3

About ethyl 2-(3,6-dihydroxy-2H-1-benzofuran-3-yl)-2-methylpropanoate

ethyl 2-(3,6-dihydroxy-2H-1-benzofuran-3-yl)-2-methylpropanoate (PubChem CID 55071894) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is ethyl 2-(3,6-dihydroxy-2H-1-benzofuran-3-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(3,6-dihydroxy-2H-1-benzofuran-3-yl)-2-methylpropanoate
PubChem CID55071894
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nameethyl 2-(3,6-dihydroxy-2H-1-benzofuran-3-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)C1(O)COc2cc(O)ccc21
InChIInChI=1S/C14H18O5/c1-4-18-12(16)13(2,3)14(17)8-19-11-7-9(15)5-6-10(11)14/h5-7,15,17H,4,8H2,1-3H3
InChIKeyDHKKCUMYFMYAIR-UHFFFAOYSA-N
XLogP1.56
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,6-dihydroxy-2H-1-benzofuran-3-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(3,6-dihydroxy-2H-1-benzofuran-3-yl)-2-methylpropanoate (CID 55071894) is ethyl 2-(3,6-dihydroxy-2H-1-benzofuran-3-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(3,6-dihydroxy-2H-1-benzofuran-3-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(3,6-dihydroxy-2H-1-benzofuran-3-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)C1(O)COc2cc(O)ccc21.
What is the InChIKey of ethyl 2-(3,6-dihydroxy-2H-1-benzofuran-3-yl)-2-methylpropanoate?
The InChIKey is DHKKCUMYFMYAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-4-18-12(16)13(2,3)14(17)8-19-11-7-9(15)5-6-10(11)14/h5-7,15,17H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(3,6-dihydroxy-2H-1-benzofuran-3-yl)-2-methylpropanoate?
ethyl 2-(3,6-dihydroxy-2H-1-benzofuran-3-yl)-2-methylpropanoate has a molecular weight of 266.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,6-dihydroxy-2H-1-benzofuran-3-yl)-2-methylpropanoate is sourced from PubChem (CID 55071894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).