methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate

C11H10O4 — CID 84673872

IUPACmethyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate
SMILESCOC(=O)Cc1coc2ccc(O)cc12
InChIInChI=1S/C11H10O4/c1-14-11(13)4-7-6-15-10-3-2-8(12)5-9(7)10/h2-3,5-6,12H,4H2,1H3
InChIKeyZMJCDZSKLHVBBX-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.85
Rot. Bonds2

About methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate

methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate (PubChem CID 84673872) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate
PubChem CID84673872
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Namemethyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate
SMILESCOC(=O)Cc1coc2ccc(O)cc12
InChIInChI=1S/C11H10O4/c1-14-11(13)4-7-6-15-10-3-2-8(12)5-9(7)10/h2-3,5-6,12H,4H2,1H3
InChIKeyZMJCDZSKLHVBBX-UHFFFAOYSA-N
XLogP1.85
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate?
The IUPAC name of methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate (CID 84673872) is methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate is COC(=O)Cc1coc2ccc(O)cc12.
What is the InChIKey of methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate?
The InChIKey is ZMJCDZSKLHVBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-14-11(13)4-7-6-15-10-3-2-8(12)5-9(7)10/h2-3,5-6,12H,4H2,1H3.
What are the key properties of methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate?
methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate has a molecular weight of 206.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 84673872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).