tris(carbon dioxide);[4-[[3-[[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]methyl]phenyl]methoxy]phenyl] formate;[4-[[3-[[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]methoxy]phenyl] formate;2-cyclopentyl-1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone;[4-[[3-[[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2,3-dimethyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one;[4-[[3-[[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one

C201H214O39 — CID 160916034

About tris(carbon dioxide);[4-[[3-[[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]methyl]phenyl]methoxy]phenyl] formate;[4-[[3-[[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]methoxy]phenyl] formate;2-cyclopentyl-1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone;[4-[[3-[[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2,3-dimethyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one;[4-[[3-[[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one

tris(carbon dioxide);[4-[[3-[[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]methyl]phenyl]methoxy]phenyl] formate;[4-[[3-[[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]methoxy]phenyl] formate;2-cyclopentyl-1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone;[4-[[3-[[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2,3-dimethyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one;[4-[[3-[[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one (PubChem CID 160916034) has the molecular formula C201H214O39 and a molecular weight of 3253.88 g/mol. Its IUPAC name is tris(carbon dioxide);[4-[[3-[[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]methyl]phenyl]methoxy]phenyl] formate;[4-[[3-[[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]methoxy]phenyl] formate;2-cyclopentyl-1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone;[4-[[3-[[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2,3-dimethyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one;[4-[[3-[[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one.

Molecular Properties

• Compound Name: tris(carbon dioxide);[4-[[3-[[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]methyl]phenyl]methoxy]phenyl] formate;[4-[[3-[[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]methoxy]phenyl] formate;2-cyclopentyl-1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone;[4-[[3-[[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2,3-dimethyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one;[4-[[3-[[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one
• PubChem CID: 160916034
• Molecular Formula: C201H214O39
• Molecular Weight: 3253.88 g/mol
• Exact Mass: 3251.48
• IUPAC Name: tris(carbon dioxide);[4-[[3-[[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]methyl]phenyl]methoxy]phenyl] formate;[4-[[3-[[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]methoxy]phenyl] formate;2-cyclopentyl-1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone;[4-[[3-[[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2,3-dimethyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one;[4-[[3-[[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one
• SMILES: Cc1c(OCc2cccc(COc3ccc(OC=O)cc3)c2)ccc(C(=O)CC(C)C)c1C.Cc1c(OCc2cccc(COc3ccc(OC=O)cc3)c2)ccc(C(=O)CC(C)C)c1O.Cc1c(OCc2cccc(COc3ccc(OC=O)cc3)c2)ccc(C(=O)CC2CCCC2)c1C.Cc1c(OCc2cccc(COc3ccc(OC=O)cc3)c2)ccc(C(=O)CC2CCCC2)c1O.Cc1ccc(OCc2cccc(COc3ccc(C(=O)CC(C)C)c(C)c3C)c2)cc1.Cc1ccc(OCc2cccc(COc3ccc(C(=O)CC(C)C)c(O)c3C)c2)cc1.Cc1ccc(OCc2cccc(COc3ccc(C(=O)CC4CCCC4)c(O)c3C)c2)cc1.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C30H32O5.C29H30O6.C29H32O4.C28H30O5.C28H32O3.C27H28O6.C27H30O4.3CO2/c1-21-22(2)30(15-14-28(21)29(32)17-23-6-3-4-7-23)34-19-25-9-5-8-24(16-25)18-33-26-10-12-27(13-11-26)35-20-31;1-20-28(14-13-26(29(20)32)27(31)16-21-5-2-3-6-21)34-18-23-8-4-7-22(15-23)17-33-24-9-11-25(12-10-24)35-19-30;1-20-10-12-25(13-11-20)32-18-23-8-5-9-24(16-23)19-33-28-15-14-26(29(31)21(28)2)27(30)17-22-6-3-4-7-22;1-19(2)14-27(30)26-12-13-28(21(4)20(26)3)32-17-23-7-5-6-22(15-23)16-31-24-8-10-25(11-9-24)33-18-29;1-19(2)15-27(29)26-13-14-28(22(5)21(26)4)31-18-24-8-6-7-23(16-24)17-30-25-11-9-20(3)10-12-25;1-18(2)13-25(29)24-11-12-26(19(3)27(24)30)32-16-21-6-4-5-20(14-21)15-31-22-7-9-23(10-8-22)33-17-28;1-18(2)14-25(28)24-12-13-26(20(4)27(24)29)31-17-22-7-5-6-21(15-22)16-30-23-10-8-19(3)9-11-23;3*2-1-3/h5,8-16,20,23H,3-4,6-7,17-19H2,1-2H3;4,7-15,19,21,32H,2-3,5-6,16-18H2,1H3;5,8-16,22,31H,3-4,6-7,17-19H2,1-2H3;5-13,15,18-19H,14,16-17H2,1-4H3;6-14,16,19H,15,17-18H2,1-5H3;4-12,14,17-18,30H,13,15-16H2,1-3H3;5-13,15,18,29H,14,16-17H2,1-4H3
• InChIKey: SRKKPAROWBIGFB-UHFFFAOYSA-N
• XLogP: 43.34
• TPSA: 537.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 71
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3253.88
LogP ≤ 5	43.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);[4-[[3-[[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]methyl]phenyl]methoxy]phenyl] formate;[4-[[3-[[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]methoxy]phenyl] formate;2-cyclopentyl-1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone;[4-[[3-[[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2,3-dimethyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one;[4-[[3-[[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one?

The IUPAC name of tris(carbon dioxide);[4-[[3-[[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]methyl]phenyl]methoxy]phenyl] formate;[4-[[3-[[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]methoxy]phenyl] formate;2-cyclopentyl-1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone;[4-[[3-[[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2,3-dimethyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one;[4-[[3-[[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one (CID 160916034) is tris(carbon dioxide);[4-[[3-[[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]methyl]phenyl]methoxy]phenyl] formate;[4-[[3-[[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]methoxy]phenyl] formate;2-cyclopentyl-1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone;[4-[[3-[[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2,3-dimethyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one;[4-[[3-[[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one.

What is the SMILES notation for tris(carbon dioxide);[4-[[3-[[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]methyl]phenyl]methoxy]phenyl] formate;[4-[[3-[[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]methoxy]phenyl] formate;2-cyclopentyl-1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone;[4-[[3-[[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2,3-dimethyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one;[4-[[3-[[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one?

The canonical SMILES for tris(carbon dioxide);[4-[[3-[[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]methyl]phenyl]methoxy]phenyl] formate;[4-[[3-[[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]methoxy]phenyl] formate;2-cyclopentyl-1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone;[4-[[3-[[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2,3-dimethyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one;[4-[[3-[[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one is Cc1c(OCc2cccc(COc3ccc(OC=O)cc3)c2)ccc(C(=O)CC(C)C)c1C.Cc1c(OCc2cccc(COc3ccc(OC=O)cc3)c2)ccc(C(=O)CC(C)C)c1O.Cc1c(OCc2cccc(COc3ccc(OC=O)cc3)c2)ccc(C(=O)CC2CCCC2)c1C.Cc1c(OCc2cccc(COc3ccc(OC=O)cc3)c2)ccc(C(=O)CC2CCCC2)c1O.Cc1ccc(OCc2cccc(COc3ccc(C(=O)CC(C)C)c(C)c3C)c2)cc1.Cc1ccc(OCc2cccc(COc3ccc(C(=O)CC(C)C)c(O)c3C)c2)cc1.Cc1ccc(OCc2cccc(COc3ccc(C(=O)CC4CCCC4)c(O)c3C)c2)cc1.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tris(carbon dioxide);[4-[[3-[[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]methyl]phenyl]methoxy]phenyl] formate;[4-[[3-[[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]methoxy]phenyl] formate;2-cyclopentyl-1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone;[4-[[3-[[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2,3-dimethyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one;[4-[[3-[[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one?

The InChIKey is SRKKPAROWBIGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O5.C29H30O6.C29H32O4.C28H30O5.C28H32O3.C27H28O6.C27H30O4.3CO2/c1-21-22(2)30(15-14-28(21)29(32)17-23-6-3-4-7-23)34-19-25-9-5-8-24(16-25)18-33-26-10-12-27(13-11-26)35-20-31;1-20-28(14-13-26(29(20)32)27(31)16-21-5-2-3-6-21)34-18-23-8-4-7-22(15-23)17-33-24-9-11-25(12-10-24)35-19-30;1-20-10-12-25(13-11-20)32-18-23-8-5-9-24(16-23)19-33-28-15-14-26(29(31)21(28)2)27(30)17-22-6-3-4-7-22;1-19(2)14-27(30)26-12-13-28(21(4)20(26)3)32-17-23-7-5-6-22(15-23)16-31-24-8-10-25(11-9-24)33-18-29;1-19(2)15-27(29)26-13-14-28(22(5)21(26)4)31-18-24-8-6-7-23(16-24)17-30-25-11-9-20(3)10-12-25;1-18(2)13-25(29)24-11-12-26(19(3)27(24)30)32-16-21-6-4-5-20(14-21)15-31-22-7-9-23(10-8-22)33-17-28;1-18(2)14-25(28)24-12-13-26(20(4)27(24)29)31-17-22-7-5-6-21(15-22)16-30-23-10-8-19(3)9-11-23;3*2-1-3/h5,8-16,20,23H,3-4,6-7,17-19H2,1-2H3;4,7-15,19,21,32H,2-3,5-6,16-18H2,1H3;5,8-16,22,31H,3-4,6-7,17-19H2,1-2H3;5-13,15,18-19H,14,16-17H2,1-4H3;6-14,16,19H,15,17-18H2,1-5H3;4-12,14,17-18,30H,13,15-16H2,1-3H3;5-13,15,18,29H,14,16-17H2,1-4H3;;;.

What are the key properties of tris(carbon dioxide);[4-[[3-[[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]methyl]phenyl]methoxy]phenyl] formate;[4-[[3-[[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]methoxy]phenyl] formate;2-cyclopentyl-1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone;[4-[[3-[[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2,3-dimethyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one;[4-[[3-[[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one?

tris(carbon dioxide);[4-[[3-[[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]methyl]phenyl]methoxy]phenyl] formate;[4-[[3-[[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]methoxy]phenyl] formate;2-cyclopentyl-1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone;[4-[[3-[[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2,3-dimethyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one;[4-[[3-[[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one has a molecular weight of 3253.88 g/mol, XLogP of 43.34, 71 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for tris(carbon dioxide);[4-[[3-[[4-(2-cyclopentylacetyl)-2,3-dimethylphenoxy]methyl]phenyl]methoxy]phenyl] formate;[4-[[3-[[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]methoxy]phenyl] formate;2-cyclopentyl-1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone;[4-[[3-[[2,3-dimethyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2,3-dimethyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one;[4-[[3-[[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]methyl]phenyl]methoxy]phenyl] formate;1-[2-hydroxy-3-methyl-4-[[3-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-3-methylbutan-1-one is sourced from PubChem (CID 160916034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).