3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione

C15H12O5 — CID 110273264

IUPAC3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione
SMILESCC(O)Cc1cc2c(=O)oc3ccccc3c2oc1=O
InChIInChI=1S/C15H12O5/c1-8(16)6-9-7-11-13(20-14(9)17)10-4-2-3-5-12(10)19-15(11)18/h2-5,7-8,16H,6H2,1H3
InChIKeyHDIDNVUWYYHRJT-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.82
Rot. Bonds2

About 3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione

3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione (PubChem CID 110273264) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione.

Molecular Properties

Compound Name3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione
PubChem CID110273264
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione
SMILESCC(O)Cc1cc2c(=O)oc3ccccc3c2oc1=O
InChIInChI=1S/C15H12O5/c1-8(16)6-9-7-11-13(20-14(9)17)10-4-2-3-5-12(10)19-15(11)18/h2-5,7-8,16H,6H2,1H3
InChIKeyHDIDNVUWYYHRJT-UHFFFAOYSA-N
XLogP1.82
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione?
The IUPAC name of 3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione (CID 110273264) is 3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione.
What is the SMILES notation for 3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione?
The canonical SMILES for 3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione is CC(O)Cc1cc2c(=O)oc3ccccc3c2oc1=O.
What is the InChIKey of 3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione?
The InChIKey is HDIDNVUWYYHRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-8(16)6-9-7-11-13(20-14(9)17)10-4-2-3-5-12(10)19-15(11)18/h2-5,7-8,16H,6H2,1H3.
What are the key properties of 3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione?
3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione has a molecular weight of 272.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)pyrano[3,2-c]chromene-2,5-dione is sourced from PubChem (CID 110273264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).