3,3-bis[4-(2-hydroxyethoxy)phenyl]-2-benzofuran-1-one;2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]cyclododecyl]phenoxy]ethanol;2-[4-[[4-(2-hydroxyethoxy)phenyl]-diphenylmethyl]phenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol

C128H148O22 — CID 159855118

About 3,3-bis[4-(2-hydroxyethoxy)phenyl]-2-benzofuran-1-one;2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]cyclododecyl]phenoxy]ethanol;2-[4-[[4-(2-hydroxyethoxy)phenyl]-diphenylmethyl]phenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol

3,3-bis[4-(2-hydroxyethoxy)phenyl]-2-benzofuran-1-one;2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]cyclododecyl]phenoxy]ethanol;2-[4-[[4-(2-hydroxyethoxy)phenyl]-diphenylmethyl]phenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol (PubChem CID 159855118) has the molecular formula C128H148O22 and a molecular weight of 2038.57 g/mol. Its IUPAC name is 3,3-bis[4-(2-hydroxyethoxy)phenyl]-2-benzofuran-1-one;2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]cyclododecyl]phenoxy]ethanol;2-[4-[[4-(2-hydroxyethoxy)phenyl]-diphenylmethyl]phenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol.

Molecular Properties

• Compound Name: 3,3-bis[4-(2-hydroxyethoxy)phenyl]-2-benzofuran-1-one;2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]cyclododecyl]phenoxy]ethanol;2-[4-[[4-(2-hydroxyethoxy)phenyl]-diphenylmethyl]phenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol
• PubChem CID: 159855118
• Molecular Formula: C128H148O22
• Molecular Weight: 2038.57 g/mol
• Exact Mass: 2037.05
• IUPAC Name: 3,3-bis[4-(2-hydroxyethoxy)phenyl]-2-benzofuran-1-one;2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]cyclododecyl]phenoxy]ethanol;2-[4-[[4-(2-hydroxyethoxy)phenyl]-diphenylmethyl]phenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol
• SMILES: CC(c1ccccc1)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1.Cc1cc(C(C)(C)c2cc(C)c(OCCO)c(C)c2)cc(C)c1OCCO.O=C1OC(c2ccc(OCCO)cc2)(c2ccc(OCCO)cc2)c2ccccc21.OCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(OCCO)cc2)cc1.OCCOc1ccc(C2(c3ccc(OCCO)cc3)CCCCCCCCCCC2)cc1
• InChI: InChI=1S/C29H28O4.C28H40O4.C24H22O6.C24H26O4.C23H32O4/c30-19-21-32-27-15-11-25(12-16-27)29(23-7-3-1-4-8-23,24-9-5-2-6-10-24)26-13-17-28(18-14-26)33-22-20-31;29-20-22-31-26-14-10-24(11-15-26)28(25-12-16-27(17-13-25)32-23-21-30)18-8-6-4-2-1-3-5-7-9-19-28;25-13-15-28-19-9-5-17(6-10-19)24(18-7-11-20(12-8-18)29-16-14-26)22-4-2-1-3-21(22)23(27)30-24;1-24(19-5-3-2-4-6-19,20-7-11-22(12-8-20)27-17-15-25)21-9-13-23(14-10-21)28-18-16-26;1-15-11-19(12-16(2)21(15)26-9-7-24)23(5,6)20-13-17(3)22(18(4)14-20)27-10-8-25/h1-18,30-31H,19-22H2;10-17,29-30H,1-9,18-23H2;1-12,25-26H,13-16H2;2-14,25-26H,15-18H2,1H3;11-14,24-25H,7-10H2,1-6H3
• InChIKey: NQKVKNDZDJKLQU-UHFFFAOYSA-N
• XLogP: 21.49
• TPSA: 320.90 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 43
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2038.57
LogP ≤ 5	21.49
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,3-bis[4-(2-hydroxyethoxy)phenyl]-2-benzofuran-1-one;2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]cyclododecyl]phenoxy]ethanol;2-[4-[[4-(2-hydroxyethoxy)phenyl]-diphenylmethyl]phenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol?

The IUPAC name of 3,3-bis[4-(2-hydroxyethoxy)phenyl]-2-benzofuran-1-one;2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]cyclododecyl]phenoxy]ethanol;2-[4-[[4-(2-hydroxyethoxy)phenyl]-diphenylmethyl]phenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol (CID 159855118) is 3,3-bis[4-(2-hydroxyethoxy)phenyl]-2-benzofuran-1-one;2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]cyclododecyl]phenoxy]ethanol;2-[4-[[4-(2-hydroxyethoxy)phenyl]-diphenylmethyl]phenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol.

What is the SMILES notation for 3,3-bis[4-(2-hydroxyethoxy)phenyl]-2-benzofuran-1-one;2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]cyclododecyl]phenoxy]ethanol;2-[4-[[4-(2-hydroxyethoxy)phenyl]-diphenylmethyl]phenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol?

The canonical SMILES for 3,3-bis[4-(2-hydroxyethoxy)phenyl]-2-benzofuran-1-one;2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]cyclododecyl]phenoxy]ethanol;2-[4-[[4-(2-hydroxyethoxy)phenyl]-diphenylmethyl]phenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol is CC(c1ccccc1)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1.Cc1cc(C(C)(C)c2cc(C)c(OCCO)c(C)c2)cc(C)c1OCCO.O=C1OC(c2ccc(OCCO)cc2)(c2ccc(OCCO)cc2)c2ccccc21.OCCOc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(OCCO)cc2)cc1.OCCOc1ccc(C2(c3ccc(OCCO)cc3)CCCCCCCCCCC2)cc1.

What is the InChIKey of 3,3-bis[4-(2-hydroxyethoxy)phenyl]-2-benzofuran-1-one;2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]cyclododecyl]phenoxy]ethanol;2-[4-[[4-(2-hydroxyethoxy)phenyl]-diphenylmethyl]phenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol?

The InChIKey is NQKVKNDZDJKLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O4.C28H40O4.C24H22O6.C24H26O4.C23H32O4/c30-19-21-32-27-15-11-25(12-16-27)29(23-7-3-1-4-8-23,24-9-5-2-6-10-24)26-13-17-28(18-14-26)33-22-20-31;29-20-22-31-26-14-10-24(11-15-26)28(25-12-16-27(17-13-25)32-23-21-30)18-8-6-4-2-1-3-5-7-9-19-28;25-13-15-28-19-9-5-17(6-10-19)24(18-7-11-20(12-8-18)29-16-14-26)22-4-2-1-3-21(22)23(27)30-24;1-24(19-5-3-2-4-6-19,20-7-11-22(12-8-20)27-17-15-25)21-9-13-23(14-10-21)28-18-16-26;1-15-11-19(12-16(2)21(15)26-9-7-24)23(5,6)20-13-17(3)22(18(4)14-20)27-10-8-25/h1-18,30-31H,19-22H2;10-17,29-30H,1-9,18-23H2;1-12,25-26H,13-16H2;2-14,25-26H,15-18H2,1H3;11-14,24-25H,7-10H2,1-6H3.

What are the key properties of 3,3-bis[4-(2-hydroxyethoxy)phenyl]-2-benzofuran-1-one;2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]cyclododecyl]phenoxy]ethanol;2-[4-[[4-(2-hydroxyethoxy)phenyl]-diphenylmethyl]phenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol?

3,3-bis[4-(2-hydroxyethoxy)phenyl]-2-benzofuran-1-one;2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]cyclododecyl]phenoxy]ethanol;2-[4-[[4-(2-hydroxyethoxy)phenyl]-diphenylmethyl]phenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol has a molecular weight of 2038.57 g/mol, XLogP of 21.49, 43 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-bis[4-(2-hydroxyethoxy)phenyl]-2-benzofuran-1-one;2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]cyclododecyl]phenoxy]ethanol;2-[4-[[4-(2-hydroxyethoxy)phenyl]-diphenylmethyl]phenoxy]ethanol;2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol is sourced from PubChem (CID 159855118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).