bis(4-methylphenyl)methanone;bis(1,3-bis(4-methylphenyl)prop-2-en-1-one);1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;bis((3-methylphenyl)-(4-methylphenyl)methanone);1-methyl-4-prop-1-enylbenzene

C117H114O6S — CID 159663395

About bis(4-methylphenyl)methanone;bis(1,3-bis(4-methylphenyl)prop-2-en-1-one);1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;bis((3-methylphenyl)-(4-methylphenyl)methanone);1-methyl-4-prop-1-enylbenzene

bis(4-methylphenyl)methanone;bis(1,3-bis(4-methylphenyl)prop-2-en-1-one);1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;bis((3-methylphenyl)-(4-methylphenyl)methanone);1-methyl-4-prop-1-enylbenzene (PubChem CID 159663395) has the molecular formula C117H114O6S and a molecular weight of 1648.26 g/mol. Its IUPAC name is bis(4-methylphenyl)methanone;bis(1,3-bis(4-methylphenyl)prop-2-en-1-one);1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;bis((3-methylphenyl)-(4-methylphenyl)methanone);1-methyl-4-prop-1-enylbenzene.

Molecular Properties

• Compound Name: bis(4-methylphenyl)methanone;bis(1,3-bis(4-methylphenyl)prop-2-en-1-one);1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;bis((3-methylphenyl)-(4-methylphenyl)methanone);1-methyl-4-prop-1-enylbenzene
• PubChem CID: 159663395
• Molecular Formula: C117H114O6S
• Molecular Weight: 1648.26 g/mol
• Exact Mass: 1646.83
• IUPAC Name: bis(4-methylphenyl)methanone;bis(1,3-bis(4-methylphenyl)prop-2-en-1-one);1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;bis((3-methylphenyl)-(4-methylphenyl)methanone);1-methyl-4-prop-1-enylbenzene
• SMILES: CC=Cc1ccc(C)cc1.Cc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)c2cccc(C)c2)cc1.Cc1ccc(C(=O)c2cccc(C)c2)cc1.Cc1ccc(C=CC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C=CC(=O)c2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1
• InChI: InChI=1S/2C17H16O.3C15H14O.C14H14O.C14H14S.C10H12/c2*1-13-3-7-15(8-4-13)9-12-17(18)16-10-5-14(2)6-11-16;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;2*1-11-6-8-13(9-7-11)15(16)14-5-3-4-12(2)10-14;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-3-4-10-7-5-9(2)6-8-10/h2*3-12H,1-2H3;3*3-10H,1-2H3;2*3-10H,1-2H3;3-8H,1-2H3
• InChIKey: MTCFRPMAWZBZBN-UHFFFAOYSA-N
• XLogP: 30.58
• TPSA: 94.58 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1648.26
LogP ≤ 5	30.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)methanone;bis(1,3-bis(4-methylphenyl)prop-2-en-1-one);1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;bis((3-methylphenyl)-(4-methylphenyl)methanone);1-methyl-4-prop-1-enylbenzene?

The IUPAC name of bis(4-methylphenyl)methanone;bis(1,3-bis(4-methylphenyl)prop-2-en-1-one);1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;bis((3-methylphenyl)-(4-methylphenyl)methanone);1-methyl-4-prop-1-enylbenzene (CID 159663395) is bis(4-methylphenyl)methanone;bis(1,3-bis(4-methylphenyl)prop-2-en-1-one);1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;bis((3-methylphenyl)-(4-methylphenyl)methanone);1-methyl-4-prop-1-enylbenzene.

What is the SMILES notation for bis(4-methylphenyl)methanone;bis(1,3-bis(4-methylphenyl)prop-2-en-1-one);1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;bis((3-methylphenyl)-(4-methylphenyl)methanone);1-methyl-4-prop-1-enylbenzene?

The canonical SMILES for bis(4-methylphenyl)methanone;bis(1,3-bis(4-methylphenyl)prop-2-en-1-one);1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;bis((3-methylphenyl)-(4-methylphenyl)methanone);1-methyl-4-prop-1-enylbenzene is CC=Cc1ccc(C)cc1.Cc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)c2cccc(C)c2)cc1.Cc1ccc(C(=O)c2cccc(C)c2)cc1.Cc1ccc(C=CC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C=CC(=O)c2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.

What is the InChIKey of bis(4-methylphenyl)methanone;bis(1,3-bis(4-methylphenyl)prop-2-en-1-one);1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;bis((3-methylphenyl)-(4-methylphenyl)methanone);1-methyl-4-prop-1-enylbenzene?

The InChIKey is MTCFRPMAWZBZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H16O.3C15H14O.C14H14O.C14H14S.C10H12/c2*1-13-3-7-15(8-4-13)9-12-17(18)16-10-5-14(2)6-11-16;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;2*1-11-6-8-13(9-7-11)15(16)14-5-3-4-12(2)10-14;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-3-4-10-7-5-9(2)6-8-10/h2*3-12H,1-2H3;3*3-10H,1-2H3;2*3-10H,1-2H3;3-8H,1-2H3.

What are the key properties of bis(4-methylphenyl)methanone;bis(1,3-bis(4-methylphenyl)prop-2-en-1-one);1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;bis((3-methylphenyl)-(4-methylphenyl)methanone);1-methyl-4-prop-1-enylbenzene?

bis(4-methylphenyl)methanone;bis(1,3-bis(4-methylphenyl)prop-2-en-1-one);1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;bis((3-methylphenyl)-(4-methylphenyl)methanone);1-methyl-4-prop-1-enylbenzene has a molecular weight of 1648.26 g/mol, XLogP of 30.58, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-methylphenyl)methanone;bis(1,3-bis(4-methylphenyl)prop-2-en-1-one);1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;bis((3-methylphenyl)-(4-methylphenyl)methanone);1-methyl-4-prop-1-enylbenzene is sourced from PubChem (CID 159663395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).