1-butoxy-4-(methoxymethyl)benzene;1-butoxy-4-methylbenzene;1-chloro-4-(methoxymethyl)benzene;1-chloro-4-methylbenzene;1-ethoxy-4-(methoxymethyl)benzene;1-ethoxy-4-methylbenzene;1-fluoro-4-(methoxymethyl)benzene;1-fluoro-4-methylbenzene;1-hexoxy-4-(methoxymethyl)benzene;tris(1-(methoxymethyl)-4-methylbenzene);1-(methoxymethyl)-4-pentoxybenzene;1-(methoxymethyl)-4-propoxybenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;tris(1,4-xylene)

C183H248Cl2F2O19 — CID 161355931

About 1-butoxy-4-(methoxymethyl)benzene;1-butoxy-4-methylbenzene;1-chloro-4-(methoxymethyl)benzene;1-chloro-4-methylbenzene;1-ethoxy-4-(methoxymethyl)benzene;1-ethoxy-4-methylbenzene;1-fluoro-4-(methoxymethyl)benzene;1-fluoro-4-methylbenzene;1-hexoxy-4-(methoxymethyl)benzene;tris(1-(methoxymethyl)-4-methylbenzene);1-(methoxymethyl)-4-pentoxybenzene;1-(methoxymethyl)-4-propoxybenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;tris(1,4-xylene)

1-butoxy-4-(methoxymethyl)benzene;1-butoxy-4-methylbenzene;1-chloro-4-(methoxymethyl)benzene;1-chloro-4-methylbenzene;1-ethoxy-4-(methoxymethyl)benzene;1-ethoxy-4-methylbenzene;1-fluoro-4-(methoxymethyl)benzene;1-fluoro-4-methylbenzene;1-hexoxy-4-(methoxymethyl)benzene;tris(1-(methoxymethyl)-4-methylbenzene);1-(methoxymethyl)-4-pentoxybenzene;1-(methoxymethyl)-4-propoxybenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;tris(1,4-xylene) (PubChem CID 161355931) has the molecular formula C183H248Cl2F2O19 and a molecular weight of 2860.88 g/mol. Its IUPAC name is 1-butoxy-4-(methoxymethyl)benzene;1-butoxy-4-methylbenzene;1-chloro-4-(methoxymethyl)benzene;1-chloro-4-methylbenzene;1-ethoxy-4-(methoxymethyl)benzene;1-ethoxy-4-methylbenzene;1-fluoro-4-(methoxymethyl)benzene;1-fluoro-4-methylbenzene;1-hexoxy-4-(methoxymethyl)benzene;tris(1-(methoxymethyl)-4-methylbenzene);1-(methoxymethyl)-4-pentoxybenzene;1-(methoxymethyl)-4-propoxybenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;tris(1,4-xylene).

Molecular Properties

• Compound Name: 1-butoxy-4-(methoxymethyl)benzene;1-butoxy-4-methylbenzene;1-chloro-4-(methoxymethyl)benzene;1-chloro-4-methylbenzene;1-ethoxy-4-(methoxymethyl)benzene;1-ethoxy-4-methylbenzene;1-fluoro-4-(methoxymethyl)benzene;1-fluoro-4-methylbenzene;1-hexoxy-4-(methoxymethyl)benzene;tris(1-(methoxymethyl)-4-methylbenzene);1-(methoxymethyl)-4-pentoxybenzene;1-(methoxymethyl)-4-propoxybenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;tris(1,4-xylene)
• PubChem CID: 161355931
• Molecular Formula: C183H248Cl2F2O19
• Molecular Weight: 2860.88 g/mol
• Exact Mass: 2857.78
• IUPAC Name: 1-butoxy-4-(methoxymethyl)benzene;1-butoxy-4-methylbenzene;1-chloro-4-(methoxymethyl)benzene;1-chloro-4-methylbenzene;1-ethoxy-4-(methoxymethyl)benzene;1-ethoxy-4-methylbenzene;1-fluoro-4-(methoxymethyl)benzene;1-fluoro-4-methylbenzene;1-hexoxy-4-(methoxymethyl)benzene;tris(1-(methoxymethyl)-4-methylbenzene);1-(methoxymethyl)-4-pentoxybenzene;1-(methoxymethyl)-4-propoxybenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;tris(1,4-xylene)
• SMILES: CCCCCCOc1ccc(COC)cc1.CCCCCOc1ccc(C)cc1.CCCCCOc1ccc(COC)cc1.CCCCOc1ccc(C)cc1.CCCCOc1ccc(COC)cc1.CCCOc1ccc(C)cc1.CCCOc1ccc(COC)cc1.CCOc1ccc(C)cc1.CCOc1ccc(COC)cc1.COCc1ccc(C)cc1.COCc1ccc(C)cc1.COCc1ccc(C)cc1.COCc1ccc(Cl)cc1.COCc1ccc(F)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1
• InChI: InChI=1S/C14H22O2.C13H20O2.C12H18O2.C12H18O.C11H16O2.C11H16O.C10H14O2.C10H14O.4C9H12O.C8H9ClO.C8H9FO.3C8H10.C7H7Cl.C7H7F/c1-3-4-5-6-11-16-14-9-7-13(8-10-14)12-15-2;1-3-4-5-10-15-13-8-6-12(7-9-13)11-14-2;1-3-4-9-14-12-7-5-11(6-8-12)10-13-2;1-3-4-5-10-13-12-8-6-11(2)7-9-12;1-3-8-13-11-6-4-10(5-7-11)9-12-2;1-3-4-9-12-11-7-5-10(2)6-8-11;1-3-12-10-6-4-9(5-7-10)8-11-2;1-3-8-11-10-6-4-9(2)5-7-10;3*1-8-3-5-9(6-4-8)7-10-2;1-3-10-9-6-4-8(2)5-7-9;2*1-10-6-7-2-4-8(9)5-3-7;3*1-7-3-5-8(2)6-4-7;2*1-6-2-4-7(8)5-3-6/h7-10H,3-6,11-12H2,1-2H3;6-9H,3-5,10-11H2,1-2H3;5-8H,3-4,9-10H2,1-2H3;6-9H,3-5,10H2,1-2H3;4-7H,3,8-9H2,1-2H3;5-8H,3-4,9H2,1-2H3;4-7H,3,8H2,1-2H3;4-7H,3,8H2,1-2H3;3*3-6H,7H2,1-2H3;4-7H,3H2,1-2H3;2*2-5H,6H2,1H3;3*3-6H,1-2H3;2*2-5H,1H3
• InChIKey: VONSCPPEISSWLI-UHFFFAOYSA-N
• XLogP: 49.55
• TPSA: 175.37 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 54
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2860.88
LogP ≤ 5	49.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-(methoxymethyl)benzene;1-butoxy-4-methylbenzene;1-chloro-4-(methoxymethyl)benzene;1-chloro-4-methylbenzene;1-ethoxy-4-(methoxymethyl)benzene;1-ethoxy-4-methylbenzene;1-fluoro-4-(methoxymethyl)benzene;1-fluoro-4-methylbenzene;1-hexoxy-4-(methoxymethyl)benzene;tris(1-(methoxymethyl)-4-methylbenzene);1-(methoxymethyl)-4-pentoxybenzene;1-(methoxymethyl)-4-propoxybenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;tris(1,4-xylene)?

The IUPAC name of 1-butoxy-4-(methoxymethyl)benzene;1-butoxy-4-methylbenzene;1-chloro-4-(methoxymethyl)benzene;1-chloro-4-methylbenzene;1-ethoxy-4-(methoxymethyl)benzene;1-ethoxy-4-methylbenzene;1-fluoro-4-(methoxymethyl)benzene;1-fluoro-4-methylbenzene;1-hexoxy-4-(methoxymethyl)benzene;tris(1-(methoxymethyl)-4-methylbenzene);1-(methoxymethyl)-4-pentoxybenzene;1-(methoxymethyl)-4-propoxybenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;tris(1,4-xylene) (CID 161355931) is 1-butoxy-4-(methoxymethyl)benzene;1-butoxy-4-methylbenzene;1-chloro-4-(methoxymethyl)benzene;1-chloro-4-methylbenzene;1-ethoxy-4-(methoxymethyl)benzene;1-ethoxy-4-methylbenzene;1-fluoro-4-(methoxymethyl)benzene;1-fluoro-4-methylbenzene;1-hexoxy-4-(methoxymethyl)benzene;tris(1-(methoxymethyl)-4-methylbenzene);1-(methoxymethyl)-4-pentoxybenzene;1-(methoxymethyl)-4-propoxybenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;tris(1,4-xylene).

What is the SMILES notation for 1-butoxy-4-(methoxymethyl)benzene;1-butoxy-4-methylbenzene;1-chloro-4-(methoxymethyl)benzene;1-chloro-4-methylbenzene;1-ethoxy-4-(methoxymethyl)benzene;1-ethoxy-4-methylbenzene;1-fluoro-4-(methoxymethyl)benzene;1-fluoro-4-methylbenzene;1-hexoxy-4-(methoxymethyl)benzene;tris(1-(methoxymethyl)-4-methylbenzene);1-(methoxymethyl)-4-pentoxybenzene;1-(methoxymethyl)-4-propoxybenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;tris(1,4-xylene)?

The canonical SMILES for 1-butoxy-4-(methoxymethyl)benzene;1-butoxy-4-methylbenzene;1-chloro-4-(methoxymethyl)benzene;1-chloro-4-methylbenzene;1-ethoxy-4-(methoxymethyl)benzene;1-ethoxy-4-methylbenzene;1-fluoro-4-(methoxymethyl)benzene;1-fluoro-4-methylbenzene;1-hexoxy-4-(methoxymethyl)benzene;tris(1-(methoxymethyl)-4-methylbenzene);1-(methoxymethyl)-4-pentoxybenzene;1-(methoxymethyl)-4-propoxybenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;tris(1,4-xylene) is CCCCCCOc1ccc(COC)cc1.CCCCCOc1ccc(C)cc1.CCCCCOc1ccc(COC)cc1.CCCCOc1ccc(C)cc1.CCCCOc1ccc(COC)cc1.CCCOc1ccc(C)cc1.CCCOc1ccc(COC)cc1.CCOc1ccc(C)cc1.CCOc1ccc(COC)cc1.COCc1ccc(C)cc1.COCc1ccc(C)cc1.COCc1ccc(C)cc1.COCc1ccc(Cl)cc1.COCc1ccc(F)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1.

What is the InChIKey of 1-butoxy-4-(methoxymethyl)benzene;1-butoxy-4-methylbenzene;1-chloro-4-(methoxymethyl)benzene;1-chloro-4-methylbenzene;1-ethoxy-4-(methoxymethyl)benzene;1-ethoxy-4-methylbenzene;1-fluoro-4-(methoxymethyl)benzene;1-fluoro-4-methylbenzene;1-hexoxy-4-(methoxymethyl)benzene;tris(1-(methoxymethyl)-4-methylbenzene);1-(methoxymethyl)-4-pentoxybenzene;1-(methoxymethyl)-4-propoxybenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;tris(1,4-xylene)?

The InChIKey is VONSCPPEISSWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2.C13H20O2.C12H18O2.C12H18O.C11H16O2.C11H16O.C10H14O2.C10H14O.4C9H12O.C8H9ClO.C8H9FO.3C8H10.C7H7Cl.C7H7F/c1-3-4-5-6-11-16-14-9-7-13(8-10-14)12-15-2;1-3-4-5-10-15-13-8-6-12(7-9-13)11-14-2;1-3-4-9-14-12-7-5-11(6-8-12)10-13-2;1-3-4-5-10-13-12-8-6-11(2)7-9-12;1-3-8-13-11-6-4-10(5-7-11)9-12-2;1-3-4-9-12-11-7-5-10(2)6-8-11;1-3-12-10-6-4-9(5-7-10)8-11-2;1-3-8-11-10-6-4-9(2)5-7-10;3*1-8-3-5-9(6-4-8)7-10-2;1-3-10-9-6-4-8(2)5-7-9;2*1-10-6-7-2-4-8(9)5-3-7;3*1-7-3-5-8(2)6-4-7;2*1-6-2-4-7(8)5-3-6/h7-10H,3-6,11-12H2,1-2H3;6-9H,3-5,10-11H2,1-2H3;5-8H,3-4,9-10H2,1-2H3;6-9H,3-5,10H2,1-2H3;4-7H,3,8-9H2,1-2H3;5-8H,3-4,9H2,1-2H3;4-7H,3,8H2,1-2H3;4-7H,3,8H2,1-2H3;3*3-6H,7H2,1-2H3;4-7H,3H2,1-2H3;2*2-5H,6H2,1H3;3*3-6H,1-2H3;2*2-5H,1H3.

What are the key properties of 1-butoxy-4-(methoxymethyl)benzene;1-butoxy-4-methylbenzene;1-chloro-4-(methoxymethyl)benzene;1-chloro-4-methylbenzene;1-ethoxy-4-(methoxymethyl)benzene;1-ethoxy-4-methylbenzene;1-fluoro-4-(methoxymethyl)benzene;1-fluoro-4-methylbenzene;1-hexoxy-4-(methoxymethyl)benzene;tris(1-(methoxymethyl)-4-methylbenzene);1-(methoxymethyl)-4-pentoxybenzene;1-(methoxymethyl)-4-propoxybenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;tris(1,4-xylene)?

1-butoxy-4-(methoxymethyl)benzene;1-butoxy-4-methylbenzene;1-chloro-4-(methoxymethyl)benzene;1-chloro-4-methylbenzene;1-ethoxy-4-(methoxymethyl)benzene;1-ethoxy-4-methylbenzene;1-fluoro-4-(methoxymethyl)benzene;1-fluoro-4-methylbenzene;1-hexoxy-4-(methoxymethyl)benzene;tris(1-(methoxymethyl)-4-methylbenzene);1-(methoxymethyl)-4-pentoxybenzene;1-(methoxymethyl)-4-propoxybenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;tris(1,4-xylene) has a molecular weight of 2860.88 g/mol, XLogP of 49.55, 54 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butoxy-4-(methoxymethyl)benzene;1-butoxy-4-methylbenzene;1-chloro-4-(methoxymethyl)benzene;1-chloro-4-methylbenzene;1-ethoxy-4-(methoxymethyl)benzene;1-ethoxy-4-methylbenzene;1-fluoro-4-(methoxymethyl)benzene;1-fluoro-4-methylbenzene;1-hexoxy-4-(methoxymethyl)benzene;tris(1-(methoxymethyl)-4-methylbenzene);1-(methoxymethyl)-4-pentoxybenzene;1-(methoxymethyl)-4-propoxybenzene;1-methyl-4-pentoxybenzene;1-methyl-4-propoxybenzene;tris(1,4-xylene) is sourced from PubChem (CID 161355931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).