1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone

C46H52O7 — CID 157442776

About 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone

1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone (PubChem CID 157442776) has the molecular formula C46H52O7 and a molecular weight of 716.91 g/mol. Its IUPAC name is 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone.

Molecular Properties

• Compound Name: 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone
• PubChem CID: 157442776
• Molecular Formula: C46H52O7
• Molecular Weight: 716.91 g/mol
• Exact Mass: 716.37
• IUPAC Name: 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone
• SMILES: COc1cc(C(C)(C)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)ccc1C.COc1cc(CC(=O)c2ccc3c(c2C)C=CC(C)(C)O3)ccc1C
• InChI: InChI=1S/C24H28O4.C22H24O3/c1-15-8-9-16(14-20(15)26-6)24(4,5)22(25)18-10-11-19-17(21(18)27-7)12-13-23(2,3)28-19;1-14-6-7-16(13-21(14)24-5)12-19(23)17-8-9-20-18(15(17)2)10-11-22(3,4)25-20/h8-14H,1-7H3;6-11,13H,12H2,1-5H3
• InChIKey: BRWBNSPKRKYOMG-UHFFFAOYSA-N
• XLogP: 10.28
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.91
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone?

The IUPAC name of 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone (CID 157442776) is 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone.

What is the SMILES notation for 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone?

The canonical SMILES for 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone is COc1cc(C(C)(C)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)ccc1C.COc1cc(CC(=O)c2ccc3c(c2C)C=CC(C)(C)O3)ccc1C.

What is the InChIKey of 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone?

The InChIKey is BRWBNSPKRKYOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O4.C22H24O3/c1-15-8-9-16(14-20(15)26-6)24(4,5)22(25)18-10-11-19-17(21(18)27-7)12-13-23(2,3)28-19;1-14-6-7-16(13-21(14)24-5)12-19(23)17-8-9-20-18(15(17)2)10-11-22(3,4)25-20/h8-14H,1-7H3;6-11,13H,12H2,1-5H3.

What are the key properties of 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone?

1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone has a molecular weight of 716.91 g/mol, XLogP of 10.28, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)-2-methylpropan-1-one;2-(3-methoxy-4-methylphenyl)-1-(2,2,5-trimethylchromen-6-yl)ethanone is sourced from PubChem (CID 157442776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).