bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene

C149H156O18 — CID 158679690

About bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene

bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene (PubChem CID 158679690) has the molecular formula C149H156O18 and a molecular weight of 2234.87 g/mol. Its IUPAC name is bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene.

Molecular Properties

• Compound Name: bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
• PubChem CID: 158679690
• Molecular Formula: C149H156O18
• Molecular Weight: 2234.87 g/mol
• Exact Mass: 2233.13
• IUPAC Name: bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
• SMILES: CC(=O)c1ccc(C(C)=O)cc1.CC(=O)c1ccc(C(C)=O)cc1.CCc1ccc(OC)cc1.COc1ccc(C(C)=O)cc1.COc1ccc(OC)cc1.COc1ccc2cc(C(C)=O)ccc2c1.COc1ccc2cc(C(C)=O)ccc2c1.COc1ccc2cc(C(C)=O)ccc2c1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(OCCOc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc2cc(C)ccc2c1
• InChI: InChI=1S/C16H18O2.C14H14O.C14H14.3C13H12O2.C12H12.2C10H10O2.C9H10O2.C9H12O.C8H10O2.C8H10/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;3*1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10;1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-7(11)9-3-5-10(6-4-9)8(2)12;1-7(10)8-3-5-9(11-2)6-4-8;1-3-8-4-6-9(10-2)7-5-8;1-9-7-3-5-8(10-2)6-4-7;1-7-3-5-8(2)6-4-7/h3-10H,11-12H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3*3-8H,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;4-7H,3H2,1-2H3;3-6H,1-2H3;3-6H,1-2H3
• InChIKey: IEYQCERWIJFJJW-UHFFFAOYSA-N
• XLogP: 36.78
• TPSA: 228.86 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2234.87
LogP ≤ 5	36.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene?

The IUPAC name of bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene (CID 158679690) is bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene.

What is the SMILES notation for bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene?

The canonical SMILES for bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene is CC(=O)c1ccc(C(C)=O)cc1.CC(=O)c1ccc(C(C)=O)cc1.CCc1ccc(OC)cc1.COc1ccc(C(C)=O)cc1.COc1ccc(OC)cc1.COc1ccc2cc(C(C)=O)ccc2c1.COc1ccc2cc(C(C)=O)ccc2c1.COc1ccc2cc(C(C)=O)ccc2c1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)cc1.Cc1ccc(OCCOc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc2cc(C)ccc2c1.

What is the InChIKey of bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene?

The InChIKey is IEYQCERWIJFJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2.C14H14O.C14H14.3C13H12O2.C12H12.2C10H10O2.C9H10O2.C9H12O.C8H10O2.C8H10/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;3*1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10;1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-7(11)9-3-5-10(6-4-9)8(2)12;1-7(10)8-3-5-9(11-2)6-4-8;1-3-8-4-6-9(10-2)7-5-8;1-9-7-3-5-8(10-2)6-4-7;1-7-3-5-8(2)6-4-7/h3-10H,11-12H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3*3-8H,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;4-7H,3H2,1-2H3;3-6H,1-2H3;3-6H,1-2H3.

What are the key properties of bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene?

bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene has a molecular weight of 2234.87 g/mol, XLogP of 36.78, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(4-acetylphenyl)ethanone);1,4-dimethoxybenzene;2,6-dimethylnaphthalene;1-ethyl-4-methoxybenzene;tris(1-(6-methoxynaphthalen-2-yl)ethanone);1-(4-methoxyphenyl)ethanone;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene is sourced from PubChem (CID 158679690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).