2-[1-(2-bromo-4-butan-2-ylphenoxy)ethoxy]ethyl acetate;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalene;2-[1-(4-butan-2-ylphenoxy)propoxy]ethyl acetate;2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl benzoate

C111H139BrO18 — CID 158620880

About 2-[1-(2-bromo-4-butan-2-ylphenoxy)ethoxy]ethyl acetate;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalene;2-[1-(4-butan-2-ylphenoxy)propoxy]ethyl acetate;2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl benzoate

2-[1-(2-bromo-4-butan-2-ylphenoxy)ethoxy]ethyl acetate;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalene;2-[1-(4-butan-2-ylphenoxy)propoxy]ethyl acetate;2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl benzoate (PubChem CID 158620880) has the molecular formula C111H139BrO18 and a molecular weight of 1841.22 g/mol. Its IUPAC name is 2-[1-(2-bromo-4-butan-2-ylphenoxy)ethoxy]ethyl acetate;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalene;2-[1-(4-butan-2-ylphenoxy)propoxy]ethyl acetate;2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl benzoate.

Molecular Properties

• Compound Name: 2-[1-(2-bromo-4-butan-2-ylphenoxy)ethoxy]ethyl acetate;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalene;2-[1-(4-butan-2-ylphenoxy)propoxy]ethyl acetate;2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl benzoate
• PubChem CID: 158620880
• Molecular Formula: C111H139BrO18
• Molecular Weight: 1841.22 g/mol
• Exact Mass: 1838.91
• IUPAC Name: 2-[1-(2-bromo-4-butan-2-ylphenoxy)ethoxy]ethyl acetate;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalene;2-[1-(4-butan-2-ylphenoxy)propoxy]ethyl acetate;2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl benzoate
• SMILES: CCC(C)(C)c1ccc(OC(C)OCCOC(=O)c2ccccc2)cc1.CCC(C)c1ccc(OC(C)OCCOC(C)=O)c(Br)c1.CCC(C)c1ccc(OC(C)OCCOc2c(-c3ccccc3)cccc2-c2ccccc2)cc1.CCC(C)c1ccc(OC(C)OCCOc2cccc3ccccc23)cc1.CCC(OCCOC(C)=O)Oc1ccc(C(C)CC)cc1
• InChI: InChI=1S/C32H34O3.C24H28O3.C22H28O4.C17H26O4.C16H23BrO4/c1-4-24(2)26-18-20-29(21-19-26)35-25(3)33-22-23-34-32-30(27-12-7-5-8-13-27)16-11-17-31(32)28-14-9-6-10-15-28;1-4-18(2)20-12-14-22(15-13-20)27-19(3)25-16-17-26-24-11-7-9-21-8-5-6-10-23(21)24;1-5-22(3,4)19-11-13-20(14-12-19)26-17(2)24-15-16-25-21(23)18-9-7-6-8-10-18;1-5-13(3)15-7-9-16(10-8-15)21-17(6-2)20-12-11-19-14(4)18;1-5-11(2)14-6-7-16(15(17)10-14)21-13(4)20-9-8-19-12(3)18/h5-21,24-25H,4,22-23H2,1-3H3;5-15,18-19H,4,16-17H2,1-3H3;6-14,17H,5,15-16H2,1-4H3;7-10,13,17H,5-6,11-12H2,1-4H3;6-7,10-11,13H,5,8-9H2,1-4H3
• InChIKey: HXYYERBBYPUEBP-UHFFFAOYSA-N
• XLogP: 27.66
• TPSA: 189.66 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 46
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1841.22
LogP ≤ 5	27.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromo-4-butan-2-ylphenoxy)ethoxy]ethyl acetate;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalene;2-[1-(4-butan-2-ylphenoxy)propoxy]ethyl acetate;2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl benzoate?

The IUPAC name of 2-[1-(2-bromo-4-butan-2-ylphenoxy)ethoxy]ethyl acetate;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalene;2-[1-(4-butan-2-ylphenoxy)propoxy]ethyl acetate;2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl benzoate (CID 158620880) is 2-[1-(2-bromo-4-butan-2-ylphenoxy)ethoxy]ethyl acetate;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalene;2-[1-(4-butan-2-ylphenoxy)propoxy]ethyl acetate;2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl benzoate.

What is the SMILES notation for 2-[1-(2-bromo-4-butan-2-ylphenoxy)ethoxy]ethyl acetate;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalene;2-[1-(4-butan-2-ylphenoxy)propoxy]ethyl acetate;2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl benzoate?

The canonical SMILES for 2-[1-(2-bromo-4-butan-2-ylphenoxy)ethoxy]ethyl acetate;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalene;2-[1-(4-butan-2-ylphenoxy)propoxy]ethyl acetate;2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl benzoate is CCC(C)(C)c1ccc(OC(C)OCCOC(=O)c2ccccc2)cc1.CCC(C)c1ccc(OC(C)OCCOC(C)=O)c(Br)c1.CCC(C)c1ccc(OC(C)OCCOc2c(-c3ccccc3)cccc2-c2ccccc2)cc1.CCC(C)c1ccc(OC(C)OCCOc2cccc3ccccc23)cc1.CCC(OCCOC(C)=O)Oc1ccc(C(C)CC)cc1.

What is the InChIKey of 2-[1-(2-bromo-4-butan-2-ylphenoxy)ethoxy]ethyl acetate;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalene;2-[1-(4-butan-2-ylphenoxy)propoxy]ethyl acetate;2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl benzoate?

The InChIKey is HXYYERBBYPUEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O3.C24H28O3.C22H28O4.C17H26O4.C16H23BrO4/c1-4-24(2)26-18-20-29(21-19-26)35-25(3)33-22-23-34-32-30(27-12-7-5-8-13-27)16-11-17-31(32)28-14-9-6-10-15-28;1-4-18(2)20-12-14-22(15-13-20)27-19(3)25-16-17-26-24-11-7-9-21-8-5-6-10-23(21)24;1-5-22(3,4)19-11-13-20(14-12-19)26-17(2)24-15-16-25-21(23)18-9-7-6-8-10-18;1-5-13(3)15-7-9-16(10-8-15)21-17(6-2)20-12-11-19-14(4)18;1-5-11(2)14-6-7-16(15(17)10-14)21-13(4)20-9-8-19-12(3)18/h5-21,24-25H,4,22-23H2,1-3H3;5-15,18-19H,4,16-17H2,1-3H3;6-14,17H,5,15-16H2,1-4H3;7-10,13,17H,5-6,11-12H2,1-4H3;6-7,10-11,13H,5,8-9H2,1-4H3.

What are the key properties of 2-[1-(2-bromo-4-butan-2-ylphenoxy)ethoxy]ethyl acetate;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalene;2-[1-(4-butan-2-ylphenoxy)propoxy]ethyl acetate;2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl benzoate?

2-[1-(2-bromo-4-butan-2-ylphenoxy)ethoxy]ethyl acetate;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalene;2-[1-(4-butan-2-ylphenoxy)propoxy]ethyl acetate;2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl benzoate has a molecular weight of 1841.22 g/mol, XLogP of 27.66, 46 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-bromo-4-butan-2-ylphenoxy)ethoxy]ethyl acetate;2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]naphthalene;2-[1-(4-butan-2-ylphenoxy)propoxy]ethyl acetate;2-[1-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl benzoate is sourced from PubChem (CID 158620880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).