ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate

C11H12O4 — CID 174245310

IUPACethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate
SMILESCCOC(=O)c1c(O)ccc2c1OCC2
InChIInChI=1S/C11H12O4/c1-2-14-11(13)9-8(12)4-3-7-5-6-15-10(7)9/h3-4,12H,2,5-6H2,1H3
InChIKeySQTRHHDEGBKYGG-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.50
Rot. Bonds2

About ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate

ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate (PubChem CID 174245310) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate
PubChem CID174245310
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Nameethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate
SMILESCCOC(=O)c1c(O)ccc2c1OCC2
InChIInChI=1S/C11H12O4/c1-2-14-11(13)9-8(12)4-3-7-5-6-15-10(7)9/h3-4,12H,2,5-6H2,1H3
InChIKeySQTRHHDEGBKYGG-UHFFFAOYSA-N
XLogP1.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate?
The IUPAC name of ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate (CID 174245310) is ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate.
What is the SMILES notation for ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate?
The canonical SMILES for ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate is CCOC(=O)c1c(O)ccc2c1OCC2.
What is the InChIKey of ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate?
The InChIKey is SQTRHHDEGBKYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-2-14-11(13)9-8(12)4-3-7-5-6-15-10(7)9/h3-4,12H,2,5-6H2,1H3.
What are the key properties of ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate?
ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate has a molecular weight of 208.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate is sourced from PubChem (CID 174245310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).