cyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone

C12H10O3 — CID 760965

IUPACcyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone
SMILESO=C(c1coc2ccc(O)cc12)C1CC1
InChIInChI=1S/C12H10O3/c13-8-3-4-11-9(5-8)10(6-15-11)12(14)7-1-2-7/h3-7,13H,1-2H2
InChIKeyCIIPYHBBQOLDAR-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.73
Rot. Bonds2

About cyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone

cyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone (PubChem CID 760965) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is cyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone
PubChem CID760965
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Namecyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone
SMILESO=C(c1coc2ccc(O)cc12)C1CC1
InChIInChI=1S/C12H10O3/c13-8-3-4-11-9(5-8)10(6-15-11)12(14)7-1-2-7/h3-7,13H,1-2H2
InChIKeyCIIPYHBBQOLDAR-UHFFFAOYSA-N
XLogP2.73
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone?
The IUPAC name of cyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone (CID 760965) is cyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone.
What is the SMILES notation for cyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone?
The canonical SMILES for cyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone is O=C(c1coc2ccc(O)cc12)C1CC1.
What is the InChIKey of cyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone?
The InChIKey is CIIPYHBBQOLDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c13-8-3-4-11-9(5-8)10(6-15-11)12(14)7-1-2-7/h3-7,13H,1-2H2.
What are the key properties of cyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone?
cyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone has a molecular weight of 202.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-hydroxy-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 760965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).