5-methyl-3-phenylchromene-2,4-dione

C16H12O3 — CID 129303785

IUPAC5-methyl-3-phenylchromene-2,4-dione
SMILESCc1cccc2c1C(=O)C(c1ccccc1)C(=O)O2
InChIInChI=1S/C16H12O3/c1-10-6-5-9-12-13(10)15(17)14(16(18)19-12)11-7-3-2-4-8-11/h2-9,14H,1H3
InChIKeyJXUVPTZYUMXHQF-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.88
Rot. Bonds1

About 5-methyl-3-phenylchromene-2,4-dione

5-methyl-3-phenylchromene-2,4-dione (PubChem CID 129303785) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-methyl-3-phenylchromene-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-phenylchromene-2,4-dione
PubChem CID129303785
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name5-methyl-3-phenylchromene-2,4-dione
SMILESCc1cccc2c1C(=O)C(c1ccccc1)C(=O)O2
InChIInChI=1S/C16H12O3/c1-10-6-5-9-12-13(10)15(17)14(16(18)19-12)11-7-3-2-4-8-11/h2-9,14H,1H3
InChIKeyJXUVPTZYUMXHQF-UHFFFAOYSA-N
XLogP2.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenylchromene-2,4-dione?
The IUPAC name of 5-methyl-3-phenylchromene-2,4-dione (CID 129303785) is 5-methyl-3-phenylchromene-2,4-dione.
What is the SMILES notation for 5-methyl-3-phenylchromene-2,4-dione?
The canonical SMILES for 5-methyl-3-phenylchromene-2,4-dione is Cc1cccc2c1C(=O)C(c1ccccc1)C(=O)O2.
What is the InChIKey of 5-methyl-3-phenylchromene-2,4-dione?
The InChIKey is JXUVPTZYUMXHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-10-6-5-9-12-13(10)15(17)14(16(18)19-12)11-7-3-2-4-8-11/h2-9,14H,1H3.
What are the key properties of 5-methyl-3-phenylchromene-2,4-dione?
5-methyl-3-phenylchromene-2,4-dione has a molecular weight of 252.27 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenylchromene-2,4-dione is sourced from PubChem (CID 129303785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).