5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one

C12H10O4 — CID 13329529

IUPAC5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one
SMILESCC(=O)c1cc2c(cc1O)OC1(CC1)C2=O
InChIInChI=1S/C12H10O4/c1-6(13)7-4-8-10(5-9(7)14)16-12(2-3-12)11(8)15/h4-5,14H,2-3H2,1H3
InChIKeyPTSUDYIKPHIWSI-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.70
Rot. Bonds1

About 5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one

5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one (PubChem CID 13329529) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one
PubChem CID13329529
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one
SMILESCC(=O)c1cc2c(cc1O)OC1(CC1)C2=O
InChIInChI=1S/C12H10O4/c1-6(13)7-4-8-10(5-9(7)14)16-12(2-3-12)11(8)15/h4-5,14H,2-3H2,1H3
InChIKeyPTSUDYIKPHIWSI-UHFFFAOYSA-N
XLogP1.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The IUPAC name of 5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one (CID 13329529) is 5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one.
What is the SMILES notation for 5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The canonical SMILES for 5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one is CC(=O)c1cc2c(cc1O)OC1(CC1)C2=O.
What is the InChIKey of 5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The InChIKey is PTSUDYIKPHIWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-6(13)7-4-8-10(5-9(7)14)16-12(2-3-12)11(8)15/h4-5,14H,2-3H2,1H3.
What are the key properties of 5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one?
5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one has a molecular weight of 218.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-hydroxyspiro[1-benzofuran-2,1'-cyclopropane]-3-one is sourced from PubChem (CID 13329529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).