phenacyl 1-benzofuran-2-carboxylate

C17H12O4 — CID 684686

IUPACphenacyl 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C17H12O4/c18-14(12-6-2-1-3-7-12)11-20-17(19)16-10-13-8-4-5-9-15(13)21-16/h1-10H,11H2
InChIKeyWPGLXMDYJLUIJR-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.47
Rot. Bonds4

About phenacyl 1-benzofuran-2-carboxylate

phenacyl 1-benzofuran-2-carboxylate (PubChem CID 684686) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is phenacyl 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namephenacyl 1-benzofuran-2-carboxylate
PubChem CID684686
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Namephenacyl 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C17H12O4/c18-14(12-6-2-1-3-7-12)11-20-17(19)16-10-13-8-4-5-9-15(13)21-16/h1-10H,11H2
InChIKeyWPGLXMDYJLUIJR-UHFFFAOYSA-N
XLogP3.47
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenacyl 1-benzofuran-2-carboxylate?
The IUPAC name of phenacyl 1-benzofuran-2-carboxylate (CID 684686) is phenacyl 1-benzofuran-2-carboxylate.
What is the SMILES notation for phenacyl 1-benzofuran-2-carboxylate?
The canonical SMILES for phenacyl 1-benzofuran-2-carboxylate is O=C(COC(=O)c1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of phenacyl 1-benzofuran-2-carboxylate?
The InChIKey is WPGLXMDYJLUIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c18-14(12-6-2-1-3-7-12)11-20-17(19)16-10-13-8-4-5-9-15(13)21-16/h1-10H,11H2.
What are the key properties of phenacyl 1-benzofuran-2-carboxylate?
phenacyl 1-benzofuran-2-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 1-benzofuran-2-carboxylate is sourced from PubChem (CID 684686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).