5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one

C11H10O4 — CID 71309762

IUPAC5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one
SMILESO=C1CC2(COC2)Oc2cccc(O)c21
InChIInChI=1S/C11H10O4/c12-7-2-1-3-9-10(7)8(13)4-11(15-9)5-14-6-11/h1-3,12H,4-6H2
InChIKeyVOADICCVHMYXEY-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.13
Rot. Bonds

About 5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one

5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one (PubChem CID 71309762) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one.

Molecular Properties

Compound Name5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one
PubChem CID71309762
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one
SMILESO=C1CC2(COC2)Oc2cccc(O)c21
InChIInChI=1S/C11H10O4/c12-7-2-1-3-9-10(7)8(13)4-11(15-9)5-14-6-11/h1-3,12H,4-6H2
InChIKeyVOADICCVHMYXEY-UHFFFAOYSA-N
XLogP1.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one?
The IUPAC name of 5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one (CID 71309762) is 5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one.
What is the SMILES notation for 5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one?
The canonical SMILES for 5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one is O=C1CC2(COC2)Oc2cccc(O)c21.
What is the InChIKey of 5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one?
The InChIKey is VOADICCVHMYXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c12-7-2-1-3-9-10(7)8(13)4-11(15-9)5-14-6-11/h1-3,12H,4-6H2.
What are the key properties of 5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one?
5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one has a molecular weight of 206.20 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one is sourced from PubChem (CID 71309762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).