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'}

Analyze 5-methyl-3-phenylchromene-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-phenyl-3H-1-benzofuran-2-one
CID 91570069
(3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione
CID 163194275
(3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one
CID 830700
(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one
CID 99644827
6-tert-butyl-3-phenyl-3H-1-benzofuran-2-one
CID 143068570
3-phenyl-3H-furo[3,2-b]pyridin-2-one
CID 163201030
2-O-(2,6-dimethylphenyl) 1-O-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl) oxalate
CID 86750782
4-(2-hydroxyethoxy)-3-phenyl-3H-1-benzofuran-2-one
CID 69111833
4,6,7-trimethyl-3-phenyl-3H-1-benzofuran-2-one
CID 68705187
(3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one
CID 877373
5-chloro-3-phenyl-3H-1-benzofuran-2-one
CID 2876746
3-(4-nitrophenyl)-3H-1-benzofuran-2-one
CID 11334299

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).