2-methoxy-3-phenyl-6H-benzo[c]chromene-1,4-dione

C20H14O4 — CID 3050396

IUPAC2-methoxy-3-phenyl-6H-benzo[c]chromene-1,4-dione
SMILESCOC1=C(c2ccccc2)C(=O)C2=C(C1=O)c1ccccc1CO2
InChIInChI=1S/C20H14O4/c1-23-19-15(12-7-3-2-4-8-12)17(21)20-16(18(19)22)14-10-6-5-9-13(14)11-24-20/h2-10H,11H2,1H3
InChIKeyIIJJGBPPKPHWQB-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.14
Rot. Bonds2

About 2-methoxy-3-phenyl-6H-benzo[c]chromene-1,4-dione

2-methoxy-3-phenyl-6H-benzo[c]chromene-1,4-dione (PubChem CID 3050396) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-methoxy-3-phenyl-6H-benzo[c]chromene-1,4-dione.

Molecular Properties

Compound Name2-methoxy-3-phenyl-6H-benzo[c]chromene-1,4-dione
PubChem CID3050396
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name2-methoxy-3-phenyl-6H-benzo[c]chromene-1,4-dione
SMILESCOC1=C(c2ccccc2)C(=O)C2=C(C1=O)c1ccccc1CO2
InChIInChI=1S/C20H14O4/c1-23-19-15(12-7-3-2-4-8-12)17(21)20-16(18(19)22)14-10-6-5-9-13(14)11-24-20/h2-10H,11H2,1H3
InChIKeyIIJJGBPPKPHWQB-UHFFFAOYSA-N
XLogP3.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-phenyl-6H-benzo[c]chromene-1,4-dione?
The IUPAC name of 2-methoxy-3-phenyl-6H-benzo[c]chromene-1,4-dione (CID 3050396) is 2-methoxy-3-phenyl-6H-benzo[c]chromene-1,4-dione.
What is the SMILES notation for 2-methoxy-3-phenyl-6H-benzo[c]chromene-1,4-dione?
The canonical SMILES for 2-methoxy-3-phenyl-6H-benzo[c]chromene-1,4-dione is COC1=C(c2ccccc2)C(=O)C2=C(C1=O)c1ccccc1CO2.
What is the InChIKey of 2-methoxy-3-phenyl-6H-benzo[c]chromene-1,4-dione?
The InChIKey is IIJJGBPPKPHWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c1-23-19-15(12-7-3-2-4-8-12)17(21)20-16(18(19)22)14-10-6-5-9-13(14)11-24-20/h2-10H,11H2,1H3.
What are the key properties of 2-methoxy-3-phenyl-6H-benzo[c]chromene-1,4-dione?
2-methoxy-3-phenyl-6H-benzo[c]chromene-1,4-dione has a molecular weight of 318.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-phenyl-6H-benzo[c]chromene-1,4-dione is sourced from PubChem (CID 3050396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).