methyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate

C12H14O4 — CID 117317848

IUPACmethyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate
SMILESCOC(=O)C(O)c1cccc2c1CC(C)O2
InChIInChI=1S/C12H14O4/c1-7-6-9-8(11(13)12(14)15-2)4-3-5-10(9)16-7/h3-5,7,11,13H,6H2,1-2H3
InChIKeyUZNDTUAUNSHPMC-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.22
Rot. Bonds2

About methyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate

methyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate (PubChem CID 117317848) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate
PubChem CID117317848
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Namemethyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate
SMILESCOC(=O)C(O)c1cccc2c1CC(C)O2
InChIInChI=1S/C12H14O4/c1-7-6-9-8(11(13)12(14)15-2)4-3-5-10(9)16-7/h3-5,7,11,13H,6H2,1-2H3
InChIKeyUZNDTUAUNSHPMC-UHFFFAOYSA-N
XLogP1.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate (CID 117317848) is methyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate is COC(=O)C(O)c1cccc2c1CC(C)O2.
What is the InChIKey of methyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate?
The InChIKey is UZNDTUAUNSHPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-7-6-9-8(11(13)12(14)15-2)4-3-5-10(9)16-7/h3-5,7,11,13H,6H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate?
methyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate has a molecular weight of 222.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate is sourced from PubChem (CID 117317848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).