2-hydroxy-1-(1-spiro[3H-1,4-benzodioxine-2,1'-cyclobutane]-6-ylcyclopropyl)ethanone

C16H18O4 — CID 91612428

IUPAC2-hydroxy-1-(1-spiro[3H-1,4-benzodioxine-2,1'-cyclobutane]-6-ylcyclopropyl)ethanone
SMILESO=C(CO)C1(c2ccc3c(c2)OCC2(CCC2)O3)CC1
InChIInChI=1S/C16H18O4/c17-9-14(18)16(6-7-16)11-2-3-12-13(8-11)19-10-15(20-12)4-1-5-15/h2-3,8,17H,1,4-7,9-10H2
InChIKeyDFOHPEYHXRAOIM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.97
Rot. Bonds3

About 2-hydroxy-1-(1-spiro[3H-1,4-benzodioxine-2,1'-cyclobutane]-6-ylcyclopropyl)ethanone

2-hydroxy-1-(1-spiro[3H-1,4-benzodioxine-2,1'-cyclobutane]-6-ylcyclopropyl)ethanone (PubChem CID 91612428) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-hydroxy-1-(1-spiro[3H-1,4-benzodioxine-2,1'-cyclobutane]-6-ylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(1-spiro[3H-1,4-benzodioxine-2,1'-cyclobutane]-6-ylcyclopropyl)ethanone
PubChem CID91612428
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name2-hydroxy-1-(1-spiro[3H-1,4-benzodioxine-2,1'-cyclobutane]-6-ylcyclopropyl)ethanone
SMILESO=C(CO)C1(c2ccc3c(c2)OCC2(CCC2)O3)CC1
InChIInChI=1S/C16H18O4/c17-9-14(18)16(6-7-16)11-2-3-12-13(8-11)19-10-15(20-12)4-1-5-15/h2-3,8,17H,1,4-7,9-10H2
InChIKeyDFOHPEYHXRAOIM-UHFFFAOYSA-N
XLogP1.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(1-spiro[3H-1,4-benzodioxine-2,1'-cyclobutane]-6-ylcyclopropyl)ethanone?
The IUPAC name of 2-hydroxy-1-(1-spiro[3H-1,4-benzodioxine-2,1'-cyclobutane]-6-ylcyclopropyl)ethanone (CID 91612428) is 2-hydroxy-1-(1-spiro[3H-1,4-benzodioxine-2,1'-cyclobutane]-6-ylcyclopropyl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(1-spiro[3H-1,4-benzodioxine-2,1'-cyclobutane]-6-ylcyclopropyl)ethanone?
The canonical SMILES for 2-hydroxy-1-(1-spiro[3H-1,4-benzodioxine-2,1'-cyclobutane]-6-ylcyclopropyl)ethanone is O=C(CO)C1(c2ccc3c(c2)OCC2(CCC2)O3)CC1.
What is the InChIKey of 2-hydroxy-1-(1-spiro[3H-1,4-benzodioxine-2,1'-cyclobutane]-6-ylcyclopropyl)ethanone?
The InChIKey is DFOHPEYHXRAOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c17-9-14(18)16(6-7-16)11-2-3-12-13(8-11)19-10-15(20-12)4-1-5-15/h2-3,8,17H,1,4-7,9-10H2.
What are the key properties of 2-hydroxy-1-(1-spiro[3H-1,4-benzodioxine-2,1'-cyclobutane]-6-ylcyclopropyl)ethanone?
2-hydroxy-1-(1-spiro[3H-1,4-benzodioxine-2,1'-cyclobutane]-6-ylcyclopropyl)ethanone has a molecular weight of 274.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(1-spiro[3H-1,4-benzodioxine-2,1'-cyclobutane]-6-ylcyclopropyl)ethanone is sourced from PubChem (CID 91612428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).