ethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate

C14H16O4 — CID 123797622

IUPACethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
SMILESCCOC(=O)C1C2Oc3cccc(C(C)O)c3C21
InChIInChI=1S/C14H16O4/c1-3-17-14(16)12-11-10-8(7(2)15)5-4-6-9(10)18-13(11)12/h4-7,11-13,15H,3H2,1-2H3
InChIKeyPTYBLENNILFVKH-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.78
Rot. Bonds3

About ethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate

ethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate (PubChem CID 123797622) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is ethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
PubChem CID123797622
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Nameethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate
SMILESCCOC(=O)C1C2Oc3cccc(C(C)O)c3C21
InChIInChI=1S/C14H16O4/c1-3-17-14(16)12-11-10-8(7(2)15)5-4-6-9(10)18-13(11)12/h4-7,11-13,15H,3H2,1-2H3
InChIKeyPTYBLENNILFVKH-UHFFFAOYSA-N
XLogP1.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
The IUPAC name of ethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate (CID 123797622) is ethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate.
What is the SMILES notation for ethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
The canonical SMILES for ethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate is CCOC(=O)C1C2Oc3cccc(C(C)O)c3C21.
What is the InChIKey of ethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
The InChIKey is PTYBLENNILFVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-3-17-14(16)12-11-10-8(7(2)15)5-4-6-9(10)18-13(11)12/h4-7,11-13,15H,3H2,1-2H3.
What are the key properties of ethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate?
ethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(1-hydroxyethyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylate is sourced from PubChem (CID 123797622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).