[4-[2-[4-acetyloxy-3-(2,3-dihydroxypropyl)phenyl]propan-2-yl]-2-(2,3-dihydroxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(3-hydroxy-2-methoxypropyl)phenyl]propan-2-yl]-2-(3-hydroxy-2-methoxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-2-(oxiran-2-ylmethyl)phenyl] acetate;[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;benzene;tetrakis([4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate);methyl acetate

C234H276O46 — CID 159037276

About [4-[2-[4-acetyloxy-3-(2,3-dihydroxypropyl)phenyl]propan-2-yl]-2-(2,3-dihydroxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(3-hydroxy-2-methoxypropyl)phenyl]propan-2-yl]-2-(3-hydroxy-2-methoxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-2-(oxiran-2-ylmethyl)phenyl] acetate;[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;benzene;tetrakis([4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate);methyl acetate

[4-[2-[4-acetyloxy-3-(2,3-dihydroxypropyl)phenyl]propan-2-yl]-2-(2,3-dihydroxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(3-hydroxy-2-methoxypropyl)phenyl]propan-2-yl]-2-(3-hydroxy-2-methoxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-2-(oxiran-2-ylmethyl)phenyl] acetate;[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;benzene;tetrakis([4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate);methyl acetate (PubChem CID 159037276) has the molecular formula C234H276O46 and a molecular weight of 3824.74 g/mol. Its IUPAC name is [4-[2-[4-acetyloxy-3-(2,3-dihydroxypropyl)phenyl]propan-2-yl]-2-(2,3-dihydroxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(3-hydroxy-2-methoxypropyl)phenyl]propan-2-yl]-2-(3-hydroxy-2-methoxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-2-(oxiran-2-ylmethyl)phenyl] acetate;[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;benzene;tetrakis([4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate);methyl acetate.

Molecular Properties

• Compound Name: [4-[2-[4-acetyloxy-3-(2,3-dihydroxypropyl)phenyl]propan-2-yl]-2-(2,3-dihydroxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(3-hydroxy-2-methoxypropyl)phenyl]propan-2-yl]-2-(3-hydroxy-2-methoxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-2-(oxiran-2-ylmethyl)phenyl] acetate;[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;benzene;tetrakis([4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate);methyl acetate
• PubChem CID: 159037276
• Molecular Formula: C234H276O46
• Molecular Weight: 3824.74 g/mol
• Exact Mass: 3821.93
• IUPAC Name: [4-[2-[4-acetyloxy-3-(2,3-dihydroxypropyl)phenyl]propan-2-yl]-2-(2,3-dihydroxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(3-hydroxy-2-methoxypropyl)phenyl]propan-2-yl]-2-(3-hydroxy-2-methoxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-2-(oxiran-2-ylmethyl)phenyl] acetate;[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;benzene;tetrakis([4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate);methyl acetate
• SMILES: C=CCc1cc(C(C)(C)c2ccc(OC(C)=O)c(CC=C)c2)ccc1OC(C)=O.CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(C)=O)c(CC(O)CO)c2)cc1CC(O)CO.CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(C)=O)c(CC3CO3)c2)cc1CC1CO1.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.COC(CO)Cc1cc(C(C)(C)c2ccc(OC(C)=O)c(CC(CO)OC)c2)ccc1OC(C)=O.COc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• InChI: InChI=1S/C27H36O8.C25H32O8.C25H28O6.C25H28O4.4C18H20O3.8C6H6.4C3H6O2/c1-17(30)34-25-9-7-21(11-19(25)13-23(15-28)32-5)27(3,4)22-8-10-26(35-18(2)31)20(12-22)14-24(16-29)33-6;1-15(28)32-23-7-5-19(9-17(23)11-21(30)13-26)25(3,4)20-6-8-24(33-16(2)29)18(10-20)12-22(31)14-27;1-15(26)30-23-7-5-19(9-17(23)11-21-13-28-21)25(3,4)20-6-8-24(31-16(2)27)18(10-20)12-22-14-29-22;1-7-9-19-15-21(11-13-23(19)28-17(3)26)25(5,6)22-12-14-24(29-18(4)27)20(16-22)10-8-2;4*1-13(19)21-17-11-7-15(8-12-17)18(2,3)14-5-9-16(20-4)10-6-14;8*1-2-4-6-5-3-1;4*1-3(4)5-2/h7-12,23-24,28-29H,13-16H2,1-6H3;5-10,21-22,26-27,30-31H,11-14H2,1-4H3;5-10,21-22H,11-14H2,1-4H3;7-8,11-16H,1-2,9-10H2,3-6H3;4*5-12H,1-4H3;8*1-6H;4*1-2H3
• InChIKey: JVPMPFMRYDVJQS-UHFFFAOYSA-N
• XLogP: 43.68
• TPSA: 622.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 46
• Rotatable Bonds: 54
• Heavy Atoms: 280
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3824.74
LogP ≤ 5	43.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-acetyloxy-3-(2,3-dihydroxypropyl)phenyl]propan-2-yl]-2-(2,3-dihydroxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(3-hydroxy-2-methoxypropyl)phenyl]propan-2-yl]-2-(3-hydroxy-2-methoxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-2-(oxiran-2-ylmethyl)phenyl] acetate;[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;benzene;tetrakis([4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate);methyl acetate?

The IUPAC name of [4-[2-[4-acetyloxy-3-(2,3-dihydroxypropyl)phenyl]propan-2-yl]-2-(2,3-dihydroxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(3-hydroxy-2-methoxypropyl)phenyl]propan-2-yl]-2-(3-hydroxy-2-methoxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-2-(oxiran-2-ylmethyl)phenyl] acetate;[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;benzene;tetrakis([4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate);methyl acetate (CID 159037276) is [4-[2-[4-acetyloxy-3-(2,3-dihydroxypropyl)phenyl]propan-2-yl]-2-(2,3-dihydroxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(3-hydroxy-2-methoxypropyl)phenyl]propan-2-yl]-2-(3-hydroxy-2-methoxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-2-(oxiran-2-ylmethyl)phenyl] acetate;[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;benzene;tetrakis([4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate);methyl acetate.

What is the SMILES notation for [4-[2-[4-acetyloxy-3-(2,3-dihydroxypropyl)phenyl]propan-2-yl]-2-(2,3-dihydroxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(3-hydroxy-2-methoxypropyl)phenyl]propan-2-yl]-2-(3-hydroxy-2-methoxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-2-(oxiran-2-ylmethyl)phenyl] acetate;[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;benzene;tetrakis([4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate);methyl acetate?

The canonical SMILES for [4-[2-[4-acetyloxy-3-(2,3-dihydroxypropyl)phenyl]propan-2-yl]-2-(2,3-dihydroxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(3-hydroxy-2-methoxypropyl)phenyl]propan-2-yl]-2-(3-hydroxy-2-methoxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-2-(oxiran-2-ylmethyl)phenyl] acetate;[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;benzene;tetrakis([4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate);methyl acetate is C=CCc1cc(C(C)(C)c2ccc(OC(C)=O)c(CC=C)c2)ccc1OC(C)=O.CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(C)=O)c(CC(O)CO)c2)cc1CC(O)CO.CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(C)=O)c(CC3CO3)c2)cc1CC1CO1.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.COC(CO)Cc1cc(C(C)(C)c2ccc(OC(C)=O)c(CC(CO)OC)c2)ccc1OC(C)=O.COc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1.COc1ccc(C(C)(C)c2ccc(OC(C)=O)cc2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.

What is the InChIKey of [4-[2-[4-acetyloxy-3-(2,3-dihydroxypropyl)phenyl]propan-2-yl]-2-(2,3-dihydroxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(3-hydroxy-2-methoxypropyl)phenyl]propan-2-yl]-2-(3-hydroxy-2-methoxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-2-(oxiran-2-ylmethyl)phenyl] acetate;[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;benzene;tetrakis([4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate);methyl acetate?

The InChIKey is JVPMPFMRYDVJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O8.C25H32O8.C25H28O6.C25H28O4.4C18H20O3.8C6H6.4C3H6O2/c1-17(30)34-25-9-7-21(11-19(25)13-23(15-28)32-5)27(3,4)22-8-10-26(35-18(2)31)20(12-22)14-24(16-29)33-6;1-15(28)32-23-7-5-19(9-17(23)11-21(30)13-26)25(3,4)20-6-8-24(33-16(2)29)18(10-20)12-22(31)14-27;1-15(26)30-23-7-5-19(9-17(23)11-21-13-28-21)25(3,4)20-6-8-24(31-16(2)27)18(10-20)12-22-14-29-22;1-7-9-19-15-21(11-13-23(19)28-17(3)26)25(5,6)22-12-14-24(29-18(4)27)20(16-22)10-8-2;4*1-13(19)21-17-11-7-15(8-12-17)18(2,3)14-5-9-16(20-4)10-6-14;8*1-2-4-6-5-3-1;4*1-3(4)5-2/h7-12,23-24,28-29H,13-16H2,1-6H3;5-10,21-22,26-27,30-31H,11-14H2,1-4H3;5-10,21-22H,11-14H2,1-4H3;7-8,11-16H,1-2,9-10H2,3-6H3;4*5-12H,1-4H3;8*1-6H;4*1-2H3.

What are the key properties of [4-[2-[4-acetyloxy-3-(2,3-dihydroxypropyl)phenyl]propan-2-yl]-2-(2,3-dihydroxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(3-hydroxy-2-methoxypropyl)phenyl]propan-2-yl]-2-(3-hydroxy-2-methoxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-2-(oxiran-2-ylmethyl)phenyl] acetate;[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;benzene;tetrakis([4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate);methyl acetate?

[4-[2-[4-acetyloxy-3-(2,3-dihydroxypropyl)phenyl]propan-2-yl]-2-(2,3-dihydroxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(3-hydroxy-2-methoxypropyl)phenyl]propan-2-yl]-2-(3-hydroxy-2-methoxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-2-(oxiran-2-ylmethyl)phenyl] acetate;[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;benzene;tetrakis([4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate);methyl acetate has a molecular weight of 3824.74 g/mol, XLogP of 43.68, 54 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[4-acetyloxy-3-(2,3-dihydroxypropyl)phenyl]propan-2-yl]-2-(2,3-dihydroxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(3-hydroxy-2-methoxypropyl)phenyl]propan-2-yl]-2-(3-hydroxy-2-methoxypropyl)phenyl] acetate;[4-[2-[4-acetyloxy-3-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-2-(oxiran-2-ylmethyl)phenyl] acetate;[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;benzene;tetrakis([4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate);methyl acetate is sourced from PubChem (CID 159037276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).