2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione

C13H10O4 — CID 11053416

IUPAC2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
SMILESO=C1C2=C(OC(O)CC2)C(=O)c2ccccc21
InChIInChI=1S/C13H10O4/c14-10-6-5-9-11(15)7-3-1-2-4-8(7)12(16)13(9)17-10/h1-4,10,14H,5-6H2
InChIKeyXDDREDMUIODDSF-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.45
Rot. Bonds

About 2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione

2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione (PubChem CID 11053416) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione.

Molecular Properties

Compound Name2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
PubChem CID11053416
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Name2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
SMILESO=C1C2=C(OC(O)CC2)C(=O)c2ccccc21
InChIInChI=1S/C13H10O4/c14-10-6-5-9-11(15)7-3-1-2-4-8(7)12(16)13(9)17-10/h1-4,10,14H,5-6H2
InChIKeyXDDREDMUIODDSF-UHFFFAOYSA-N
XLogP1.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
The IUPAC name of 2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione (CID 11053416) is 2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione.
What is the SMILES notation for 2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
The canonical SMILES for 2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione is O=C1C2=C(OC(O)CC2)C(=O)c2ccccc21.
What is the InChIKey of 2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
The InChIKey is XDDREDMUIODDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4/c14-10-6-5-9-11(15)7-3-1-2-4-8(7)12(16)13(9)17-10/h1-4,10,14H,5-6H2.
What are the key properties of 2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione has a molecular weight of 230.22 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4-dihydro-2H-benzo[g]chromene-5,10-dione is sourced from PubChem (CID 11053416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).