methyl 2-methyl-5,10-dioxobenzo[g]chromene-2-carboxylate

C16H12O5 — CID 24822271

IUPACmethyl 2-methyl-5,10-dioxobenzo[g]chromene-2-carboxylate
SMILESCOC(=O)C1(C)C=CC2=C(O1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H12O5/c1-16(15(19)20-2)8-7-11-12(17)9-5-3-4-6-10(9)13(18)14(11)21-16/h3-8H,1-2H3
InChIKeyUILZGGHEZCVBMZ-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.84
Rot. Bonds1

About methyl 2-methyl-5,10-dioxobenzo[g]chromene-2-carboxylate

methyl 2-methyl-5,10-dioxobenzo[g]chromene-2-carboxylate (PubChem CID 24822271) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is methyl 2-methyl-5,10-dioxobenzo[g]chromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5,10-dioxobenzo[g]chromene-2-carboxylate
PubChem CID24822271
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Namemethyl 2-methyl-5,10-dioxobenzo[g]chromene-2-carboxylate
SMILESCOC(=O)C1(C)C=CC2=C(O1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H12O5/c1-16(15(19)20-2)8-7-11-12(17)9-5-3-4-6-10(9)13(18)14(11)21-16/h3-8H,1-2H3
InChIKeyUILZGGHEZCVBMZ-UHFFFAOYSA-N
XLogP1.84
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.84
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 2-methyl-5,10-dioxobenzo[g]chromene-2-carboxylate?
The IUPAC name of methyl 2-methyl-5,10-dioxobenzo[g]chromene-2-carboxylate (CID 24822271) is methyl 2-methyl-5,10-dioxobenzo[g]chromene-2-carboxylate.
What is the SMILES notation for methyl 2-methyl-5,10-dioxobenzo[g]chromene-2-carboxylate?
The canonical SMILES for methyl 2-methyl-5,10-dioxobenzo[g]chromene-2-carboxylate is COC(=O)C1(C)C=CC2=C(O1)C(=O)c1ccccc1C2=O.
What is the InChIKey of methyl 2-methyl-5,10-dioxobenzo[g]chromene-2-carboxylate?
The InChIKey is UILZGGHEZCVBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-16(15(19)20-2)8-7-11-12(17)9-5-3-4-6-10(9)13(18)14(11)21-16/h3-8H,1-2H3.
What are the key properties of methyl 2-methyl-5,10-dioxobenzo[g]chromene-2-carboxylate?
methyl 2-methyl-5,10-dioxobenzo[g]chromene-2-carboxylate has a molecular weight of 284.27 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5,10-dioxobenzo[g]chromene-2-carboxylate is sourced from PubChem (CID 24822271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).