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

C124H149N3O22 — CID 158337528

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

1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-2,4-dioxobutanoate;N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxylate;1-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]ethanone;4-(2-methylpropyl)benzene-1,3-diol (PubChem CID 158337528) has the molecular formula C124H149N3O22 and a molecular weight of 2033.55 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-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-2,4-dioxobutanoate;N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxylate;1-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]ethanone;4-(2-methylpropyl)benzene-1,3-diol.

Molecular Properties

• Compound Name: 1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-2,4-dioxobutanoate;N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxylate;1-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]ethanone;4-(2-methylpropyl)benzene-1,3-diol
• PubChem CID: 158337528
• Molecular Formula: C124H149N3O22
• Molecular Weight: 2033.55 g/mol
• Exact Mass: 2032.06
• IUPAC Name: 1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-2,4-dioxobutanoate;N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxylate;1-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]ethanone;4-(2-methylpropyl)benzene-1,3-diol
• SMILES: CC(=O)c1cc(CC(C)C)c(C)cc1OCc1ccccc1.CC(=O)c1cc(CC(C)C)c(O)cc1O.CC(C)C(=O)c1ccc(O)cc1O.CC(C)Cc1ccc(O)cc1O.CCNC(=O)c1cc(-c2cc(CC(C)C)c(C)cc2OCc2ccccc2)on1.CCOC(=O)C(=O)CC(=O)c1cc(CC(C)C)c(C)cc1OCc1ccccc1.CCOC(=O)c1cc(-c2cc(CC(C)C)c(C)cc2OCc2ccccc2)on1
• InChI: InChI=1S/C24H28N2O3.C24H27NO4.C24H28O5.C20H24O2.C12H16O3.C10H12O3.C10H14O2/c1-5-25-24(27)21-14-23(29-26-21)20-13-19(11-16(2)3)17(4)12-22(20)28-15-18-9-7-6-8-10-18;1-5-27-24(26)21-14-23(29-25-21)20-13-19(11-16(2)3)17(4)12-22(20)28-15-18-9-7-6-8-10-18;1-5-28-24(27)22(26)14-21(25)20-13-19(11-16(2)3)17(4)12-23(20)29-15-18-9-7-6-8-10-18;1-14(2)10-18-12-19(16(4)21)20(11-15(18)3)22-13-17-8-6-5-7-9-17;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/h6-10,12-14,16H,5,11,15H2,1-4H3,(H,25,27);6-10,12-14,16H,5,11,15H2,1-4H3;6-10,12-13,16H,5,11,14-15H2,1-4H3;5-9,11-12,14H,10,13H2,1-4H3;5-7,14-15H,4H2,1-3H3;3-6,11-12H,1-2H3;3-4,6-7,11-12H,5H2,1-2H3
• InChIKey: GQTMZWNZOUPTIO-UHFFFAOYSA-N
• XLogP: 26.97
• TPSA: 377.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 39
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2033.55
LogP ≤ 5	26.97
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

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-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-2,4-dioxobutanoate;N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxylate;1-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]ethanone;4-(2-methylpropyl)benzene-1,3-diol?

The IUPAC name of 1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-2,4-dioxobutanoate;N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxylate;1-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]ethanone;4-(2-methylpropyl)benzene-1,3-diol (CID 158337528) is 1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-2,4-dioxobutanoate;N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxylate;1-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]ethanone;4-(2-methylpropyl)benzene-1,3-diol.

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-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-2,4-dioxobutanoate;N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxylate;1-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]ethanone;4-(2-methylpropyl)benzene-1,3-diol?

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

The InChIKey is GQTMZWNZOUPTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3.C24H27NO4.C24H28O5.C20H24O2.C12H16O3.C10H12O3.C10H14O2/c1-5-25-24(27)21-14-23(29-26-21)20-13-19(11-16(2)3)17(4)12-22(20)28-15-18-9-7-6-8-10-18;1-5-27-24(26)21-14-23(29-25-21)20-13-19(11-16(2)3)17(4)12-22(20)28-15-18-9-7-6-8-10-18;1-5-28-24(27)22(26)14-21(25)20-13-19(11-16(2)3)17(4)12-23(20)29-15-18-9-7-6-8-10-18;1-14(2)10-18-12-19(16(4)21)20(11-15(18)3)22-13-17-8-6-5-7-9-17;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/h6-10,12-14,16H,5,11,15H2,1-4H3,(H,25,27);6-10,12-14,16H,5,11,15H2,1-4H3;6-10,12-13,16H,5,11,14-15H2,1-4H3;5-9,11-12,14H,10,13H2,1-4H3;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-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-2,4-dioxobutanoate;N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxylate;1-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]ethanone;4-(2-methylpropyl)benzene-1,3-diol?

1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-2,4-dioxobutanoate;N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxylate;1-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]ethanone;4-(2-methylpropyl)benzene-1,3-diol has a molecular weight of 2033.55 g/mol, XLogP of 26.97, 39 rotatable bonds, 7 hydrogen bond donors, and 24 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-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-2,4-dioxobutanoate;N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxylate;1-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]ethanone;4-(2-methylpropyl)benzene-1,3-diol is sourced from PubChem (CID 158337528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).