methyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate

C15H10O5 — CID 42646364

IUPACmethyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate
SMILESCOC(=O)C1=CCOC2=C1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10O5/c1-19-15(18)10-6-7-20-14-11(10)12(16)8-4-2-3-5-9(8)13(14)17/h2-6H,7H2,1H3
InChIKeyYZCUHQCREPYKFL-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.45
Rot. Bonds1

About methyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate

methyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate (PubChem CID 42646364) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is methyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate.

Molecular Properties

Compound Namemethyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate
PubChem CID42646364
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Namemethyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate
SMILESCOC(=O)C1=CCOC2=C1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10O5/c1-19-15(18)10-6-7-20-14-11(10)12(16)8-4-2-3-5-9(8)13(14)17/h2-6H,7H2,1H3
InChIKeyYZCUHQCREPYKFL-UHFFFAOYSA-N
XLogP1.45
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate?
The IUPAC name of methyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate (CID 42646364) is methyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate.
What is the SMILES notation for methyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate?
The canonical SMILES for methyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate is COC(=O)C1=CCOC2=C1C(=O)c1ccccc1C2=O.
What is the InChIKey of methyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate?
The InChIKey is YZCUHQCREPYKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c1-19-15(18)10-6-7-20-14-11(10)12(16)8-4-2-3-5-9(8)13(14)17/h2-6H,7H2,1H3.
What are the key properties of methyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate?
methyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate has a molecular weight of 270.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,10-dioxo-2H-benzo[g]chromene-4-carboxylate is sourced from PubChem (CID 42646364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).