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

C13H14O4 — CID 117340140

IUPACethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate
SMILESCCOC(=O)C(O)c1ccc2oc(C)cc2c1
InChIInChI=1S/C13H14O4/c1-3-16-13(15)12(14)9-4-5-11-10(7-9)6-8(2)17-11/h4-7,12,14H,3H2,1-2H3
InChIKeyZNMDHODOANBCEY-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.34
Rot. Bonds3

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

ethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate (PubChem CID 117340140) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate
PubChem CID117340140
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Nameethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate
SMILESCCOC(=O)C(O)c1ccc2oc(C)cc2c1
InChIInChI=1S/C13H14O4/c1-3-16-13(15)12(14)9-4-5-11-10(7-9)6-8(2)17-11/h4-7,12,14H,3H2,1-2H3
InChIKeyZNMDHODOANBCEY-UHFFFAOYSA-N
XLogP2.34
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate
CID 117412349
ethyl 2-(3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 69387082
ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate
CID 117416740
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189
ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate
CID 117317830
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499
5-ethoxy-2-methyl-1-benzofuran
CID 18726834
ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
CID 62215366
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate (CID 117340140) is ethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate is CCOC(=O)C(O)c1ccc2oc(C)cc2c1.
What is the InChIKey of ethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate?
The InChIKey is ZNMDHODOANBCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-3-16-13(15)12(14)9-4-5-11-10(7-9)6-8(2)17-11/h4-7,12,14H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate?
ethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate has a molecular weight of 234.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate is sourced from PubChem (CID 117340140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).