methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate

C11H10O4 — CID 3095117

IUPACmethyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate
SMILESCOC(=O)CC1OC(=O)c2ccccc21
InChIInChI=1S/C11H10O4/c1-14-10(12)6-9-7-4-2-3-5-8(7)11(13)15-9/h2-5,9H,6H2,1H3
InChIKeyAONLBLBMUXAMBP-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.46
Rot. Bonds2

About methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate

methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate (PubChem CID 3095117) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate
PubChem CID3095117
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Namemethyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate
SMILESCOC(=O)CC1OC(=O)c2ccccc21
InChIInChI=1S/C11H10O4/c1-14-10(12)6-9-7-4-2-3-5-8(7)11(13)15-9/h2-5,9H,6H2,1H3
InChIKeyAONLBLBMUXAMBP-UHFFFAOYSA-N
XLogP1.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate?
The IUPAC name of methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate (CID 3095117) is methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate?
The canonical SMILES for methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate is COC(=O)CC1OC(=O)c2ccccc21.
What is the InChIKey of methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate?
The InChIKey is AONLBLBMUXAMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-14-10(12)6-9-7-4-2-3-5-8(7)11(13)15-9/h2-5,9H,6H2,1H3.
What are the key properties of methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate?
methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate has a molecular weight of 206.20 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-oxo-1H-2-benzofuran-1-yl)acetate is sourced from PubChem (CID 3095117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).