1-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(2-methylphenyl)butane-1,4-dione;bis(1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butane-1,4-dione);bis(1-(3,4-dimethylphenyl)-4-(4-methylphenyl)butane-1,4-dione);1-(3,4-dimethylphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione;methane

C169H190N4O19 — CID 157190551

About 1-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(2-methylphenyl)butane-1,4-dione;bis(1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butane-1,4-dione);bis(1-(3,4-dimethylphenyl)-4-(4-methylphenyl)butane-1,4-dione);1-(3,4-dimethylphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione;methane

1-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(2-methylphenyl)butane-1,4-dione;bis(1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butane-1,4-dione);bis(1-(3,4-dimethylphenyl)-4-(4-methylphenyl)butane-1,4-dione);1-(3,4-dimethylphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione;methane (PubChem CID 157190551) has the molecular formula C169H190N4O19 and a molecular weight of 2581.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(2-methylphenyl)butane-1,4-dione;bis(1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butane-1,4-dione);bis(1-(3,4-dimethylphenyl)-4-(4-methylphenyl)butane-1,4-dione);1-(3,4-dimethylphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione;methane.

Molecular Properties

• Compound Name: 1-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(2-methylphenyl)butane-1,4-dione;bis(1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butane-1,4-dione);bis(1-(3,4-dimethylphenyl)-4-(4-methylphenyl)butane-1,4-dione);1-(3,4-dimethylphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione;methane
• PubChem CID: 157190551
• Molecular Formula: C169H190N4O19
• Molecular Weight: 2581.39 g/mol
• Exact Mass: 2579.40
• IUPAC Name: 1-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(2-methylphenyl)butane-1,4-dione;bis(1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butane-1,4-dione);bis(1-(3,4-dimethylphenyl)-4-(4-methylphenyl)butane-1,4-dione);1-(3,4-dimethylphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione;methane
• SMILES: C.C.C.C.C.COc1ccccc1C(=O)CCC(=O)c1ccc(C)c(C)c1.Cc1ccc(C(=O)CCC(=O)c2ccc(C)c(C)c2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc(C)c(C)c2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccccc2C)cc1C.Cc1ccc(C(=O)CCC(=O)c2ccccn2)cc1C.Cc1ccc(C(=O)CCC(=O)c2cccnc2)cc1C.Cc1ccc(C(=O)CCC(=O)c2ncccn2)cc1C.Cc1cccc(C(=O)CCC(=O)c2ccc(C)c(C)c2)c1.Cc1cccc(C(=O)CCC(=O)c2ccc(C)c(C)c2)c1
• InChI: InChI=1S/C19H20O3.5C19H20O2.2C17H17NO2.C16H16N2O2.5CH4/c1-13-8-9-15(12-14(13)2)17(20)10-11-18(21)16-6-4-5-7-19(16)22-3;2*1-13-4-7-16(8-5-13)18(20)10-11-19(21)17-9-6-14(2)15(3)12-17;2*1-13-5-4-6-16(11-13)18(20)9-10-19(21)17-8-7-14(2)15(3)12-17;1-13-8-9-16(12-15(13)3)18(20)10-11-19(21)17-7-5-4-6-14(17)2;1-12-5-6-14(10-13(12)2)16(19)7-8-17(20)15-4-3-9-18-11-15;1-12-6-7-14(11-13(12)2)16(19)8-9-17(20)15-5-3-4-10-18-15;1-11-4-5-13(10-12(11)2)14(19)6-7-15(20)16-17-8-3-9-18-16;;;;;/h4-9,12H,10-11H2,1-3H3;2*4-9,12H,10-11H2,1-3H3;2*4-8,11-12H,9-10H2,1-3H3;4-9,12H,10-11H2,1-3H3;3-6,9-11H,7-8H2,1-2H3;3-7,10-11H,8-9H2,1-2H3;3-5,8-10H,6-7H2,1-2H3;5*1H4
• InChIKey: APQLYYWTLRFZAN-UHFFFAOYSA-N
• XLogP: 39.65
• TPSA: 368.05 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 46
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2581.39
LogP ≤ 5	39.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(2-methylphenyl)butane-1,4-dione;bis(1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butane-1,4-dione);bis(1-(3,4-dimethylphenyl)-4-(4-methylphenyl)butane-1,4-dione);1-(3,4-dimethylphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione;methane?

The IUPAC name of 1-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(2-methylphenyl)butane-1,4-dione;bis(1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butane-1,4-dione);bis(1-(3,4-dimethylphenyl)-4-(4-methylphenyl)butane-1,4-dione);1-(3,4-dimethylphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione;methane (CID 157190551) is 1-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(2-methylphenyl)butane-1,4-dione;bis(1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butane-1,4-dione);bis(1-(3,4-dimethylphenyl)-4-(4-methylphenyl)butane-1,4-dione);1-(3,4-dimethylphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione;methane.

What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(2-methylphenyl)butane-1,4-dione;bis(1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butane-1,4-dione);bis(1-(3,4-dimethylphenyl)-4-(4-methylphenyl)butane-1,4-dione);1-(3,4-dimethylphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione;methane?

The canonical SMILES for 1-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(2-methylphenyl)butane-1,4-dione;bis(1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butane-1,4-dione);bis(1-(3,4-dimethylphenyl)-4-(4-methylphenyl)butane-1,4-dione);1-(3,4-dimethylphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione;methane is C.C.C.C.C.COc1ccccc1C(=O)CCC(=O)c1ccc(C)c(C)c1.Cc1ccc(C(=O)CCC(=O)c2ccc(C)c(C)c2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccc(C)c(C)c2)cc1.Cc1ccc(C(=O)CCC(=O)c2ccccc2C)cc1C.Cc1ccc(C(=O)CCC(=O)c2ccccn2)cc1C.Cc1ccc(C(=O)CCC(=O)c2cccnc2)cc1C.Cc1ccc(C(=O)CCC(=O)c2ncccn2)cc1C.Cc1cccc(C(=O)CCC(=O)c2ccc(C)c(C)c2)c1.Cc1cccc(C(=O)CCC(=O)c2ccc(C)c(C)c2)c1.

What is the InChIKey of 1-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(2-methylphenyl)butane-1,4-dione;bis(1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butane-1,4-dione);bis(1-(3,4-dimethylphenyl)-4-(4-methylphenyl)butane-1,4-dione);1-(3,4-dimethylphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione;methane?

The InChIKey is APQLYYWTLRFZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3.5C19H20O2.2C17H17NO2.C16H16N2O2.5CH4/c1-13-8-9-15(12-14(13)2)17(20)10-11-18(21)16-6-4-5-7-19(16)22-3;2*1-13-4-7-16(8-5-13)18(20)10-11-19(21)17-9-6-14(2)15(3)12-17;2*1-13-5-4-6-16(11-13)18(20)9-10-19(21)17-8-7-14(2)15(3)12-17;1-13-8-9-16(12-15(13)3)18(20)10-11-19(21)17-7-5-4-6-14(17)2;1-12-5-6-14(10-13(12)2)16(19)7-8-17(20)15-4-3-9-18-11-15;1-12-6-7-14(11-13(12)2)16(19)8-9-17(20)15-5-3-4-10-18-15;1-11-4-5-13(10-12(11)2)14(19)6-7-15(20)16-17-8-3-9-18-16;;;;;/h4-9,12H,10-11H2,1-3H3;2*4-9,12H,10-11H2,1-3H3;2*4-8,11-12H,9-10H2,1-3H3;4-9,12H,10-11H2,1-3H3;3-6,9-11H,7-8H2,1-2H3;3-7,10-11H,8-9H2,1-2H3;3-5,8-10H,6-7H2,1-2H3;5*1H4.

What are the key properties of 1-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(2-methylphenyl)butane-1,4-dione;bis(1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butane-1,4-dione);bis(1-(3,4-dimethylphenyl)-4-(4-methylphenyl)butane-1,4-dione);1-(3,4-dimethylphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione;methane?

1-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(2-methylphenyl)butane-1,4-dione;bis(1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butane-1,4-dione);bis(1-(3,4-dimethylphenyl)-4-(4-methylphenyl)butane-1,4-dione);1-(3,4-dimethylphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione;methane has a molecular weight of 2581.39 g/mol, XLogP of 39.65, 46 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dimethylphenyl)-4-(2-methylphenyl)butane-1,4-dione;bis(1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butane-1,4-dione);bis(1-(3,4-dimethylphenyl)-4-(4-methylphenyl)butane-1,4-dione);1-(3,4-dimethylphenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dimethylphenyl)-4-pyrimidin-2-ylbutane-1,4-dione;methane is sourced from PubChem (CID 157190551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).