5-hydroxy-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one

C15H18O3 — CID 58002934

IUPAC5-hydroxy-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one
SMILESCC(C)c1cc(O)c2c(c1)OC1(CCC1)CC2=O
InChIInChI=1S/C15H18O3/c1-9(2)10-6-11(16)14-12(17)8-15(4-3-5-15)18-13(14)7-10/h6-7,9,16H,3-5,8H2,1-2H3
InChIKeyKEJPSNVQESRCBQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.40
Rot. Bonds1

About 5-hydroxy-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one

5-hydroxy-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one (PubChem CID 58002934) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-hydroxy-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one.

Molecular Properties

Compound Name5-hydroxy-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one
PubChem CID58002934
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name5-hydroxy-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one
SMILESCC(C)c1cc(O)c2c(c1)OC1(CCC1)CC2=O
InChIInChI=1S/C15H18O3/c1-9(2)10-6-11(16)14-12(17)8-15(4-3-5-15)18-13(14)7-10/h6-7,9,16H,3-5,8H2,1-2H3
InChIKeyKEJPSNVQESRCBQ-UHFFFAOYSA-N
XLogP3.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one?
The IUPAC name of 5-hydroxy-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one (CID 58002934) is 5-hydroxy-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one.
What is the SMILES notation for 5-hydroxy-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one?
The canonical SMILES for 5-hydroxy-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one is CC(C)c1cc(O)c2c(c1)OC1(CCC1)CC2=O.
What is the InChIKey of 5-hydroxy-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one?
The InChIKey is KEJPSNVQESRCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-9(2)10-6-11(16)14-12(17)8-15(4-3-5-15)18-13(14)7-10/h6-7,9,16H,3-5,8H2,1-2H3.
What are the key properties of 5-hydroxy-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one?
5-hydroxy-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one has a molecular weight of 246.31 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-propan-2-ylspiro[3H-chromene-2,1'-cyclobutane]-4-one is sourced from PubChem (CID 58002934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).