methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate

C15H18O4 — CID 116986532

IUPACmethyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
SMILESCOC(=O)CCc1c2c(c(C)c3c1OCC3)OCC2
InChIInChI=1S/C15H18O4/c1-9-10-5-7-19-15(10)11(3-4-13(16)17-2)12-6-8-18-14(9)12/h3-8H2,1-2H3
InChIKeyHPFORVDURRDYEX-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.97
Rot. Bonds3

About methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate

methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate (PubChem CID 116986532) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
PubChem CID116986532
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Namemethyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
SMILESCOC(=O)CCc1c2c(c(C)c3c1OCC3)OCC2
InChIInChI=1S/C15H18O4/c1-9-10-5-7-19-15(10)11(3-4-13(16)17-2)12-6-8-18-14(9)12/h3-8H2,1-2H3
InChIKeyHPFORVDURRDYEX-UHFFFAOYSA-N
XLogP1.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate?
The IUPAC name of methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate (CID 116986532) is methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate.
What is the SMILES notation for methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate?
The canonical SMILES for methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate is COC(=O)CCc1c2c(c(C)c3c1OCC3)OCC2.
What is the InChIKey of methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate?
The InChIKey is HPFORVDURRDYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-9-10-5-7-19-15(10)11(3-4-13(16)17-2)12-6-8-18-14(9)12/h3-8H2,1-2H3.
What are the key properties of methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate?
methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate has a molecular weight of 262.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate is sourced from PubChem (CID 116986532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).