5-hydroxy-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one

C20H16O6 — CID 132581667

IUPAC5-hydroxy-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one
SMILESO=c1cc(-c2ccc(O)cc2)oc2c3c(cc(O)c12)OC1(CCCO1)C3
InChIInChI=1S/C20H16O6/c21-12-4-2-11(3-5-12)16-8-14(22)18-15(23)9-17-13(19(18)25-16)10-20(26-17)6-1-7-24-20/h2-5,8-9,21,23H,1,6-7,10H2
InChIKeyGUUNJRGDVDVAAU-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.31
Rot. Bonds1

About 5-hydroxy-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one

5-hydroxy-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one (PubChem CID 132581667) has the molecular formula C20H16O6 and a molecular weight of 352.34 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one
PubChem CID132581667
Molecular FormulaC20H16O6
Molecular Weight352.34 g/mol
Exact Mass352.09
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one
SMILESO=c1cc(-c2ccc(O)cc2)oc2c3c(cc(O)c12)OC1(CCCO1)C3
InChIInChI=1S/C20H16O6/c21-12-4-2-11(3-5-12)16-8-14(22)18-15(23)9-17-13(19(18)25-16)10-20(26-17)6-1-7-24-20/h2-5,8-9,21,23H,1,6-7,10H2
InChIKeyGUUNJRGDVDVAAU-UHFFFAOYSA-N
XLogP3.31
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one?
The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one (CID 132581667) is 5-hydroxy-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one?
The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one is O=c1cc(-c2ccc(O)cc2)oc2c3c(cc(O)c12)OC1(CCCO1)C3.
What is the InChIKey of 5-hydroxy-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one?
The InChIKey is GUUNJRGDVDVAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O6/c21-12-4-2-11(3-5-12)16-8-14(22)18-15(23)9-17-13(19(18)25-16)10-20(26-17)6-1-7-24-20/h2-5,8-9,21,23H,1,6-7,10H2.
What are the key properties of 5-hydroxy-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one?
5-hydroxy-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one has a molecular weight of 352.34 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxyphenyl)spiro[9H-furo[2,3-h]chromene-8,2'-oxolane]-4-one is sourced from PubChem (CID 132581667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).