4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl 4-oxopentanoate;1-O-[1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] 4-O-[1-[4-[2-[4-[2-(4-oxopentanoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl] benzene-1,4-dicarboxylate;4-methyl-1,3-dioxolan-2-one;methyl 4-(2-hydroxyacetyl)benzoate;methyl 5-hydroxy-4-oxopentanoate

C139H172O35 — CID 158356874

About 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl 4-oxopentanoate;1-O-[1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] 4-O-[1-[4-[2-[4-[2-(4-oxopentanoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl] benzene-1,4-dicarboxylate;4-methyl-1,3-dioxolan-2-one;methyl 4-(2-hydroxyacetyl)benzoate;methyl 5-hydroxy-4-oxopentanoate

4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl 4-oxopentanoate;1-O-[1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] 4-O-[1-[4-[2-[4-[2-(4-oxopentanoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl] benzene-1,4-dicarboxylate;4-methyl-1,3-dioxolan-2-one;methyl 4-(2-hydroxyacetyl)benzoate;methyl 5-hydroxy-4-oxopentanoate (PubChem CID 158356874) has the molecular formula C139H172O35 and a molecular weight of 2402.87 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl 4-oxopentanoate;1-O-[1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] 4-O-[1-[4-[2-[4-[2-(4-oxopentanoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl] benzene-1,4-dicarboxylate;4-methyl-1,3-dioxolan-2-one;methyl 4-(2-hydroxyacetyl)benzoate;methyl 5-hydroxy-4-oxopentanoate.

Molecular Properties

• Compound Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl 4-oxopentanoate;1-O-[1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] 4-O-[1-[4-[2-[4-[2-(4-oxopentanoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl] benzene-1,4-dicarboxylate;4-methyl-1,3-dioxolan-2-one;methyl 4-(2-hydroxyacetyl)benzoate;methyl 5-hydroxy-4-oxopentanoate
• PubChem CID: 158356874
• Molecular Formula: C139H172O35
• Molecular Weight: 2402.87 g/mol
• Exact Mass: 2401.17
• IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl 4-oxopentanoate;1-O-[1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] 4-O-[1-[4-[2-[4-[2-(4-oxopentanoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl] benzene-1,4-dicarboxylate;4-methyl-1,3-dioxolan-2-one;methyl 4-(2-hydroxyacetyl)benzoate;methyl 5-hydroxy-4-oxopentanoate
• SMILES: CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(O)COc1ccc(C(C)(C)c2ccc(OCC(C)O)cc2)cc1.CC1COC(=O)O1.COC(=O)CCC(=O)CO.COC(=O)c1ccc(C(=O)CO)cc1.COC(C)COc1ccc(C(C)(C)c2ccc(OCC(C)OC(=O)CCC(C)=O)cc2)cc1.COC(C)COc1ccc(C(C)(C)c2ccc(OCC(C)OC(=O)c3ccc(C(=O)OC(C)COc4ccc(C(C)(C)c5ccc(OCC(C)OC(=O)CCC(C)=O)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C56H66O12.C27H36O6.C21H28O4.C15H16O2.C10H10O4.C6H10O4.C4H6O3/c1-37(57)11-32-52(58)66-39(3)34-63-49-26-18-45(19-27-49)56(8,9)47-22-30-51(31-23-47)65-36-41(5)68-54(60)43-14-12-42(13-15-43)53(59)67-40(4)35-64-50-28-20-46(21-29-50)55(6,7)44-16-24-48(25-17-44)62-33-38(2)61-10;1-19(28)7-16-26(29)33-21(3)18-32-25-14-10-23(11-15-25)27(4,5)22-8-12-24(13-9-22)31-17-20(2)30-6;1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-14-10(13)8-4-2-7(3-5-8)9(12)6-11;1-10-6(9)3-2-5(8)4-7;1-3-2-6-4(5)7-3/h12-31,38-41H,11,32-36H2,1-10H3;8-15,20-21H,7,16-18H2,1-6H3;5-12,15-16,22-23H,13-14H2,1-4H3;3-10,16-17H,1-2H3;2-5,11H,6H2,1H3;7H,2-4H2,1H3;3H,2H2,1H3
• InChIKey: GSZGZRHMXYTRSW-UHFFFAOYSA-N
• XLogP: 23.43
• TPSA: 475.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 55
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2402.87
LogP ≤ 5	23.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl 4-oxopentanoate;1-O-[1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] 4-O-[1-[4-[2-[4-[2-(4-oxopentanoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl] benzene-1,4-dicarboxylate;4-methyl-1,3-dioxolan-2-one;methyl 4-(2-hydroxyacetyl)benzoate;methyl 5-hydroxy-4-oxopentanoate?

The IUPAC name of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl 4-oxopentanoate;1-O-[1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] 4-O-[1-[4-[2-[4-[2-(4-oxopentanoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl] benzene-1,4-dicarboxylate;4-methyl-1,3-dioxolan-2-one;methyl 4-(2-hydroxyacetyl)benzoate;methyl 5-hydroxy-4-oxopentanoate (CID 158356874) is 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl 4-oxopentanoate;1-O-[1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] 4-O-[1-[4-[2-[4-[2-(4-oxopentanoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl] benzene-1,4-dicarboxylate;4-methyl-1,3-dioxolan-2-one;methyl 4-(2-hydroxyacetyl)benzoate;methyl 5-hydroxy-4-oxopentanoate.

What is the SMILES notation for 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl 4-oxopentanoate;1-O-[1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] 4-O-[1-[4-[2-[4-[2-(4-oxopentanoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl] benzene-1,4-dicarboxylate;4-methyl-1,3-dioxolan-2-one;methyl 4-(2-hydroxyacetyl)benzoate;methyl 5-hydroxy-4-oxopentanoate?

The canonical SMILES for 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl 4-oxopentanoate;1-O-[1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] 4-O-[1-[4-[2-[4-[2-(4-oxopentanoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl] benzene-1,4-dicarboxylate;4-methyl-1,3-dioxolan-2-one;methyl 4-(2-hydroxyacetyl)benzoate;methyl 5-hydroxy-4-oxopentanoate is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(O)COc1ccc(C(C)(C)c2ccc(OCC(C)O)cc2)cc1.CC1COC(=O)O1.COC(=O)CCC(=O)CO.COC(=O)c1ccc(C(=O)CO)cc1.COC(C)COc1ccc(C(C)(C)c2ccc(OCC(C)OC(=O)CCC(C)=O)cc2)cc1.COC(C)COc1ccc(C(C)(C)c2ccc(OCC(C)OC(=O)c3ccc(C(=O)OC(C)COc4ccc(C(C)(C)c5ccc(OCC(C)OC(=O)CCC(C)=O)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl 4-oxopentanoate;1-O-[1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] 4-O-[1-[4-[2-[4-[2-(4-oxopentanoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl] benzene-1,4-dicarboxylate;4-methyl-1,3-dioxolan-2-one;methyl 4-(2-hydroxyacetyl)benzoate;methyl 5-hydroxy-4-oxopentanoate?

The InChIKey is GSZGZRHMXYTRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H66O12.C27H36O6.C21H28O4.C15H16O2.C10H10O4.C6H10O4.C4H6O3/c1-37(57)11-32-52(58)66-39(3)34-63-49-26-18-45(19-27-49)56(8,9)47-22-30-51(31-23-47)65-36-41(5)68-54(60)43-14-12-42(13-15-43)53(59)67-40(4)35-64-50-28-20-46(21-29-50)55(6,7)44-16-24-48(25-17-44)62-33-38(2)61-10;1-19(28)7-16-26(29)33-21(3)18-32-25-14-10-23(11-15-25)27(4,5)22-8-12-24(13-9-22)31-17-20(2)30-6;1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-14-10(13)8-4-2-7(3-5-8)9(12)6-11;1-10-6(9)3-2-5(8)4-7;1-3-2-6-4(5)7-3/h12-31,38-41H,11,32-36H2,1-10H3;8-15,20-21H,7,16-18H2,1-6H3;5-12,15-16,22-23H,13-14H2,1-4H3;3-10,16-17H,1-2H3;2-5,11H,6H2,1H3;7H,2-4H2,1H3;3H,2H2,1H3.

What are the key properties of 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl 4-oxopentanoate;1-O-[1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] 4-O-[1-[4-[2-[4-[2-(4-oxopentanoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl] benzene-1,4-dicarboxylate;4-methyl-1,3-dioxolan-2-one;methyl 4-(2-hydroxyacetyl)benzoate;methyl 5-hydroxy-4-oxopentanoate?

4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl 4-oxopentanoate;1-O-[1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] 4-O-[1-[4-[2-[4-[2-(4-oxopentanoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl] benzene-1,4-dicarboxylate;4-methyl-1,3-dioxolan-2-one;methyl 4-(2-hydroxyacetyl)benzoate;methyl 5-hydroxy-4-oxopentanoate has a molecular weight of 2402.87 g/mol, XLogP of 23.43, 55 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl 4-oxopentanoate;1-O-[1-[4-[2-[4-(2-methoxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] 4-O-[1-[4-[2-[4-[2-(4-oxopentanoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl] benzene-1,4-dicarboxylate;4-methyl-1,3-dioxolan-2-one;methyl 4-(2-hydroxyacetyl)benzoate;methyl 5-hydroxy-4-oxopentanoate is sourced from PubChem (CID 158356874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).