1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoate;N-ethyl-5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate;4-(2-methylpropyl)benzene-1,3-diol;1-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]ethanone

C148H165N3O26 — CID 161404786

About 1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoate;N-ethyl-5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate;4-(2-methylpropyl)benzene-1,3-diol;1-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]ethanone

1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoate;N-ethyl-5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate;4-(2-methylpropyl)benzene-1,3-diol;1-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]ethanone (PubChem CID 161404786) has the molecular formula C148H165N3O26 and a molecular weight of 2401.94 g/mol. Its IUPAC name is 1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoate;N-ethyl-5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate;4-(2-methylpropyl)benzene-1,3-diol;1-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoate;N-ethyl-5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate;4-(2-methylpropyl)benzene-1,3-diol;1-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]ethanone
• PubChem CID: 161404786
• Molecular Formula: C148H165N3O26
• Molecular Weight: 2401.94 g/mol
• Exact Mass: 2400.17
• IUPAC Name: 1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoate;N-ethyl-5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate;4-(2-methylpropyl)benzene-1,3-diol;1-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]ethanone
• SMILES: CC(=O)c1cc(CC(C)C)c(O)cc1O.CC(=O)c1cc(CC(C)C)c(OCc2ccccc2)cc1OCc1ccccc1.CC(C)C(=O)c1ccc(O)cc1O.CC(C)Cc1ccc(O)cc1O.CCNC(=O)c1cc(-c2cc(CC(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)on1.CCOC(=O)C(=O)CC(=O)c1cc(CC(C)C)c(OCc2ccccc2)cc1OCc1ccccc1.CCOC(=O)c1cc(-c2cc(CC(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)on1
• InChI: InChI=1S/C30H32N2O4.C30H31NO5.C30H32O6.C26H28O3.C12H16O3.C10H12O3.C10H14O2/c1-4-31-30(33)26-17-29(36-32-26)25-16-24(15-21(2)3)27(34-19-22-11-7-5-8-12-22)18-28(25)35-20-23-13-9-6-10-14-23;1-4-33-30(32)26-17-29(36-31-26)25-16-24(15-21(2)3)27(34-19-22-11-7-5-8-12-22)18-28(25)35-20-23-13-9-6-10-14-23;1-4-34-30(33)27(32)17-26(31)25-16-24(15-21(2)3)28(35-19-22-11-7-5-8-12-22)18-29(25)36-20-23-13-9-6-10-14-23;1-19(2)14-23-15-24(20(3)27)26(29-18-22-12-8-5-9-13-22)16-25(23)28-17-21-10-6-4-7-11-21;1-7(2)4-9-5-10(8(3)13)12(15)6-11(9)14;1-6(2)10(13)8-4-3-7(11)5-9(8)12;1-7(2)5-8-3-4-9(11)6-10(8)12/h5-14,16-18,21H,4,15,19-20H2,1-3H3,(H,31,33);5-14,16-18,21H,4,15,19-20H2,1-3H3;5-14,16,18,21H,4,15,17,19-20H2,1-3H3;4-13,15-16,19H,14,17-18H2,1-3H3;5-7,14-15H,4H2,1-3H3;3-6,11-12H,1-2H3;3-4,6-7,11-12H,5H2,1-2H3
• InChIKey: VURSUOVNVMFZEX-UHFFFAOYSA-N
• XLogP: 32.05
• TPSA: 414.33 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 51
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2401.94
LogP ≤ 5	32.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoate;N-ethyl-5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate;4-(2-methylpropyl)benzene-1,3-diol;1-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]ethanone?

The IUPAC name of 1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoate;N-ethyl-5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate;4-(2-methylpropyl)benzene-1,3-diol;1-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]ethanone (CID 161404786) is 1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoate;N-ethyl-5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate;4-(2-methylpropyl)benzene-1,3-diol;1-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]ethanone.

What is the SMILES notation for 1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoate;N-ethyl-5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate;4-(2-methylpropyl)benzene-1,3-diol;1-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]ethanone?

The canonical SMILES for 1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoate;N-ethyl-5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate;4-(2-methylpropyl)benzene-1,3-diol;1-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]ethanone is CC(=O)c1cc(CC(C)C)c(O)cc1O.CC(=O)c1cc(CC(C)C)c(OCc2ccccc2)cc1OCc1ccccc1.CC(C)C(=O)c1ccc(O)cc1O.CC(C)Cc1ccc(O)cc1O.CCNC(=O)c1cc(-c2cc(CC(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)on1.CCOC(=O)C(=O)CC(=O)c1cc(CC(C)C)c(OCc2ccccc2)cc1OCc1ccccc1.CCOC(=O)c1cc(-c2cc(CC(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)on1.

What is the InChIKey of 1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoate;N-ethyl-5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate;4-(2-methylpropyl)benzene-1,3-diol;1-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]ethanone?

The InChIKey is VURSUOVNVMFZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4.C30H31NO5.C30H32O6.C26H28O3.C12H16O3.C10H12O3.C10H14O2/c1-4-31-30(33)26-17-29(36-32-26)25-16-24(15-21(2)3)27(34-19-22-11-7-5-8-12-22)18-28(25)35-20-23-13-9-6-10-14-23;1-4-33-30(32)26-17-29(36-31-26)25-16-24(15-21(2)3)27(34-19-22-11-7-5-8-12-22)18-28(25)35-20-23-13-9-6-10-14-23;1-4-34-30(33)27(32)17-26(31)25-16-24(15-21(2)3)28(35-19-22-11-7-5-8-12-22)18-29(25)36-20-23-13-9-6-10-14-23;1-19(2)14-23-15-24(20(3)27)26(29-18-22-12-8-5-9-13-22)16-25(23)28-17-21-10-6-4-7-11-21;1-7(2)4-9-5-10(8(3)13)12(15)6-11(9)14;1-6(2)10(13)8-4-3-7(11)5-9(8)12;1-7(2)5-8-3-4-9(11)6-10(8)12/h5-14,16-18,21H,4,15,19-20H2,1-3H3,(H,31,33);5-14,16-18,21H,4,15,19-20H2,1-3H3;5-14,16,18,21H,4,15,17,19-20H2,1-3H3;4-13,15-16,19H,14,17-18H2,1-3H3;5-7,14-15H,4H2,1-3H3;3-6,11-12H,1-2H3;3-4,6-7,11-12H,5H2,1-2H3.

What are the key properties of 1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoate;N-ethyl-5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate;4-(2-methylpropyl)benzene-1,3-diol;1-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]ethanone?

1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoate;N-ethyl-5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate;4-(2-methylpropyl)benzene-1,3-diol;1-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]ethanone has a molecular weight of 2401.94 g/mol, XLogP of 32.05, 51 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoate;N-ethyl-5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate;4-(2-methylpropyl)benzene-1,3-diol;1-[5-(2-methylpropyl)-2,4-bis(phenylmethoxy)phenyl]ethanone is sourced from PubChem (CID 161404786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).