7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one

C12H12O3 — CID 13329536

IUPAC7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one
SMILESCC(O)c1cccc2c1OC1(CC1)C2=O
InChIInChI=1S/C12H12O3/c1-7(13)8-3-2-4-9-10(8)15-12(5-6-12)11(9)14/h2-4,7,13H,5-6H2,1H3
InChIKeyIKQALGFQGJGNCL-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.85
Rot. Bonds1

About 7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one

7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one (PubChem CID 13329536) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one
PubChem CID13329536
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one
SMILESCC(O)c1cccc2c1OC1(CC1)C2=O
InChIInChI=1S/C12H12O3/c1-7(13)8-3-2-4-9-10(8)15-12(5-6-12)11(9)14/h2-4,7,13H,5-6H2,1H3
InChIKeyIKQALGFQGJGNCL-UHFFFAOYSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The IUPAC name of 7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one (CID 13329536) is 7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one.
What is the SMILES notation for 7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The canonical SMILES for 7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one is CC(O)c1cccc2c1OC1(CC1)C2=O.
What is the InChIKey of 7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The InChIKey is IKQALGFQGJGNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-7(13)8-3-2-4-9-10(8)15-12(5-6-12)11(9)14/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one?
7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one has a molecular weight of 204.23 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxyethyl)spiro[1-benzofuran-2,1'-cyclopropane]-3-one is sourced from PubChem (CID 13329536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).