431

2-(4-methylphenyl)-4H-chromen-4-one

Created:	2012-10-19
Last modified:	2020-06-05

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1 entries where 431 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of 431

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Chemical Component Summary
Name	2-(4-methylphenyl)-4H-chromen-4-one
Synonyms	4'-methylflavone
Systematic Name (OpenEye OEToolkits)	2-(4-methylphenyl)chromen-4-one
Formula	C₁₆ H₁₂ O₂
Molecular Weight	236.265
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c3c(OC(=C1)c2ccc(cc2)C)cccc3
SMILES	CACTVS	3.370	Cc1ccc(cc1)C2=CC(=O)c3ccccc3O2
SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(cc1)C2=CC(=O)c3ccccc3O2
Canonical SMILES	CACTVS	3.370	Cc1ccc(cc1)C2=CC(=O)c3ccccc3O2
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(cc1)C2=CC(=O)c3ccccc3O2
InChI	InChI	1.03	InChI=1S/C16H12O2/c1-11-6-8-12(9-7-11)16-10-14(17)13-4-2-3-5-15(13)18-16/h2-10H,1H3
InChIKey	InChI	1.03	OPHKKQQCOYMLPW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL16861
PubChem	688829
ChEMBL	CHEMBL16861

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