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

C19H12O3 — CID 134157364

IUPAC3-phenyl-6H-benzo[c]chromene-1,4-dione
SMILESO=C1C=C(c2ccccc2)C(=O)C2=C1c1ccccc1CO2
InChIInChI=1S/C19H12O3/c20-16-10-15(12-6-2-1-3-7-12)18(21)19-17(16)14-9-5-4-8-13(14)11-22-19/h1-10H,11H2
InChIKeyFLMJDSCWVOKENT-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.16
Rot. Bonds1

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

3-phenyl-6H-benzo[c]chromene-1,4-dione (PubChem CID 134157364) has the molecular formula C19H12O3 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-phenyl-6H-benzo[c]chromene-1,4-dione.

Molecular Properties

Compound Name3-phenyl-6H-benzo[c]chromene-1,4-dione
PubChem CID134157364
Molecular FormulaC19H12O3
Molecular Weight288.30 g/mol
Exact Mass288.08
IUPAC Name3-phenyl-6H-benzo[c]chromene-1,4-dione
SMILESO=C1C=C(c2ccccc2)C(=O)C2=C1c1ccccc1CO2
InChIInChI=1S/C19H12O3/c20-16-10-15(12-6-2-1-3-7-12)18(21)19-17(16)14-9-5-4-8-13(14)11-22-19/h1-10H,11H2
InChIKeyFLMJDSCWVOKENT-UHFFFAOYSA-N
XLogP3.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-phenyl-6H-benzo[c]chromene-1,4-dione?
The IUPAC name of 3-phenyl-6H-benzo[c]chromene-1,4-dione (CID 134157364) is 3-phenyl-6H-benzo[c]chromene-1,4-dione.
What is the SMILES notation for 3-phenyl-6H-benzo[c]chromene-1,4-dione?
The canonical SMILES for 3-phenyl-6H-benzo[c]chromene-1,4-dione is O=C1C=C(c2ccccc2)C(=O)C2=C1c1ccccc1CO2.
What is the InChIKey of 3-phenyl-6H-benzo[c]chromene-1,4-dione?
The InChIKey is FLMJDSCWVOKENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O3/c20-16-10-15(12-6-2-1-3-7-12)18(21)19-17(16)14-9-5-4-8-13(14)11-22-19/h1-10H,11H2.
What are the key properties of 3-phenyl-6H-benzo[c]chromene-1,4-dione?
3-phenyl-6H-benzo[c]chromene-1,4-dione has a molecular weight of 288.30 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6H-benzo[c]chromene-1,4-dione is sourced from PubChem (CID 134157364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).