2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene

C75H78N4O4S2 — CID 160860099

About 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene

2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene (PubChem CID 160860099) has the molecular formula C75H78N4O4S2 and a molecular weight of 1163.61 g/mol. Its IUPAC name is 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene.

Molecular Properties

• Compound Name: 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
• PubChem CID: 160860099
• Molecular Formula: C75H78N4O4S2
• Molecular Weight: 1163.61 g/mol
• Exact Mass: 1162.55
• IUPAC Name: 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
• SMILES: Cc1ccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)cc1.Cc1ccc(C)s1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1csc(C)c1
• InChI: InChI=1S/C29H28O2.C22H18O2.2C6H8N2.2C6H8S/c1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-15-6-8-17(9-7-15)21(23)18-10-12-19(13-11-18)22(24)20-5-3-4-16(2)14-20;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5/h5-20H,1-4H3;3-14H,1-2H3;2*3-4H,1-2H3;2*3-4H,1-2H3
• InChIKey: SKJDUTBAONOOMJ-UHFFFAOYSA-N
• XLogP: 19.90
• TPSA: 104.16 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1163.61
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene?

The IUPAC name of 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene (CID 160860099) is 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene.

What is the SMILES notation for 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene?

The canonical SMILES for 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene is Cc1ccc(C(=O)c2ccc(C(=O)c3cccc(C)c3)cc2)cc1.Cc1ccc(C)s1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1cnc(C)cn1.Cc1cncc(C)n1.Cc1csc(C)c1.

What is the InChIKey of 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene?

The InChIKey is SKJDUTBAONOOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O2.C22H18O2.2C6H8N2.2C6H8S/c1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-15-6-8-17(9-7-15)21(23)18-10-12-19(13-11-18)22(24)20-5-3-4-16(2)14-20;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5/h5-20H,1-4H3;3-14H,1-2H3;2*3-4H,1-2H3;2*3-4H,1-2H3.

What are the key properties of 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene?

2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene has a molecular weight of 1163.61 g/mol, XLogP of 19.90, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylpyrazine;2,6-dimethylpyrazine;2,4-dimethylthiophene;2,5-dimethylthiophene;[4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene is sourced from PubChem (CID 160860099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).