4-hydroxy-7,8-dihydro-6H-chromene-2,5-dione

C9H8O4 — CID 54710007

IUPAC4-hydroxy-7,8-dihydro-6H-chromene-2,5-dione
SMILESO=C1CCCc2oc(=O)cc(O)c21
InChIInChI=1S/C9H8O4/c10-5-2-1-3-7-9(5)6(11)4-8(12)13-7/h4,11H,1-3H2
InChIKeyUJHANGLXDWJMTJ-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.86
Rot. Bonds

About 4-hydroxy-7,8-dihydro-6H-chromene-2,5-dione

4-hydroxy-7,8-dihydro-6H-chromene-2,5-dione (PubChem CID 54710007) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is 4-hydroxy-7,8-dihydro-6H-chromene-2,5-dione.

Molecular Properties

Compound Name4-hydroxy-7,8-dihydro-6H-chromene-2,5-dione
PubChem CID54710007
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Name4-hydroxy-7,8-dihydro-6H-chromene-2,5-dione
SMILESO=C1CCCc2oc(=O)cc(O)c21
InChIInChI=1S/C9H8O4/c10-5-2-1-3-7-9(5)6(11)4-8(12)13-7/h4,11H,1-3H2
InChIKeyUJHANGLXDWJMTJ-UHFFFAOYSA-N
XLogP0.86
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7,8-dihydro-6H-chromene-2,5-dione?
The IUPAC name of 4-hydroxy-7,8-dihydro-6H-chromene-2,5-dione (CID 54710007) is 4-hydroxy-7,8-dihydro-6H-chromene-2,5-dione.
What is the SMILES notation for 4-hydroxy-7,8-dihydro-6H-chromene-2,5-dione?
The canonical SMILES for 4-hydroxy-7,8-dihydro-6H-chromene-2,5-dione is O=C1CCCc2oc(=O)cc(O)c21.
What is the InChIKey of 4-hydroxy-7,8-dihydro-6H-chromene-2,5-dione?
The InChIKey is UJHANGLXDWJMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4/c10-5-2-1-3-7-9(5)6(11)4-8(12)13-7/h4,11H,1-3H2.
What are the key properties of 4-hydroxy-7,8-dihydro-6H-chromene-2,5-dione?
4-hydroxy-7,8-dihydro-6H-chromene-2,5-dione has a molecular weight of 180.16 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7,8-dihydro-6H-chromene-2,5-dione is sourced from PubChem (CID 54710007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).