methyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate

C21H20O5 — CID 134238319

IUPACmethyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate
SMILESCCC(C(=O)OC)c1c(C(=O)c2ccccc2)oc2ccc(OC)cc12
InChIInChI=1S/C21H20O5/c1-4-15(21(23)25-3)18-16-12-14(24-2)10-11-17(16)26-20(18)19(22)13-8-6-5-7-9-13/h5-12,15H,4H2,1-3H3
InChIKeyDDEBDZGGJDOHIG-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.34
Rot. Bonds6

About methyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate

methyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate (PubChem CID 134238319) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate
PubChem CID134238319
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Namemethyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate
SMILESCCC(C(=O)OC)c1c(C(=O)c2ccccc2)oc2ccc(OC)cc12
InChIInChI=1S/C21H20O5/c1-4-15(21(23)25-3)18-16-12-14(24-2)10-11-17(16)26-20(18)19(22)13-8-6-5-7-9-13/h5-12,15H,4H2,1-3H3
InChIKeyDDEBDZGGJDOHIG-UHFFFAOYSA-N
XLogP4.34
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate?
The IUPAC name of methyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate (CID 134238319) is methyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate.
What is the SMILES notation for methyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate?
The canonical SMILES for methyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate is CCC(C(=O)OC)c1c(C(=O)c2ccccc2)oc2ccc(OC)cc12.
What is the InChIKey of methyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate?
The InChIKey is DDEBDZGGJDOHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c1-4-15(21(23)25-3)18-16-12-14(24-2)10-11-17(16)26-20(18)19(22)13-8-6-5-7-9-13/h5-12,15H,4H2,1-3H3.
What are the key properties of methyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate?
methyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate has a molecular weight of 352.39 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate is sourced from PubChem (CID 134238319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).