4,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;2-tert-butyl-4-(2-hydroxy-5-methylphenyl)-6-prop-2-enylbenzene-1,3-diol;2-(3-tert-butyl-4-hydroxy-5-prop-2-enylphenyl)-3,4,5-trimethylphenol;4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol;2-(2-hydroxy-4,6-dimethyl-3-prop-2-enylphenyl)-3,5-dimethyl-6-prop-2-enylphenol;2-(2-hydroxy-4,6-dimethyl-3-propylphenyl)-3,5-dimethyl-6-propylphenol;2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-3,4,5-trimethylphenol

C187H242O20 — CID 159104187

About 4,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;2-tert-butyl-4-(2-hydroxy-5-methylphenyl)-6-prop-2-enylbenzene-1,3-diol;2-(3-tert-butyl-4-hydroxy-5-prop-2-enylphenyl)-3,4,5-trimethylphenol;4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol;2-(2-hydroxy-4,6-dimethyl-3-prop-2-enylphenyl)-3,5-dimethyl-6-prop-2-enylphenol;2-(2-hydroxy-4,6-dimethyl-3-propylphenyl)-3,5-dimethyl-6-propylphenol;2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-3,4,5-trimethylphenol

4,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;2-tert-butyl-4-(2-hydroxy-5-methylphenyl)-6-prop-2-enylbenzene-1,3-diol;2-(3-tert-butyl-4-hydroxy-5-prop-2-enylphenyl)-3,4,5-trimethylphenol;4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol;2-(2-hydroxy-4,6-dimethyl-3-prop-2-enylphenyl)-3,5-dimethyl-6-prop-2-enylphenol;2-(2-hydroxy-4,6-dimethyl-3-propylphenyl)-3,5-dimethyl-6-propylphenol;2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-3,4,5-trimethylphenol (PubChem CID 159104187) has the molecular formula C187H242O20 and a molecular weight of 2809.97 g/mol. Its IUPAC name is 4,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;2-tert-butyl-4-(2-hydroxy-5-methylphenyl)-6-prop-2-enylbenzene-1,3-diol;2-(3-tert-butyl-4-hydroxy-5-prop-2-enylphenyl)-3,4,5-trimethylphenol;4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol;2-(2-hydroxy-4,6-dimethyl-3-prop-2-enylphenyl)-3,5-dimethyl-6-prop-2-enylphenol;2-(2-hydroxy-4,6-dimethyl-3-propylphenyl)-3,5-dimethyl-6-propylphenol;2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-3,4,5-trimethylphenol.

Molecular Properties

• Compound Name: 4,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;2-tert-butyl-4-(2-hydroxy-5-methylphenyl)-6-prop-2-enylbenzene-1,3-diol;2-(3-tert-butyl-4-hydroxy-5-prop-2-enylphenyl)-3,4,5-trimethylphenol;4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol;2-(2-hydroxy-4,6-dimethyl-3-prop-2-enylphenyl)-3,5-dimethyl-6-prop-2-enylphenol;2-(2-hydroxy-4,6-dimethyl-3-propylphenyl)-3,5-dimethyl-6-propylphenol;2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-3,4,5-trimethylphenol
• PubChem CID: 159104187
• Molecular Formula: C187H242O20
• Molecular Weight: 2809.97 g/mol
• Exact Mass: 2807.79
• IUPAC Name: 4,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;2-tert-butyl-4-(2-hydroxy-5-methylphenyl)-6-prop-2-enylbenzene-1,3-diol;2-(3-tert-butyl-4-hydroxy-5-prop-2-enylphenyl)-3,4,5-trimethylphenol;4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol;2-(2-hydroxy-4,6-dimethyl-3-prop-2-enylphenyl)-3,5-dimethyl-6-prop-2-enylphenol;2-(2-hydroxy-4,6-dimethyl-3-propylphenyl)-3,5-dimethyl-6-propylphenol;2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-3,4,5-trimethylphenol
• SMILES: C=CCc1c(C)cc(C)c(-c2c(C)cc(C)c(CC=C)c2O)c1O.C=CCc1cc(-c2c(O)cc(C)c(C)c2C)cc(C(C)(C)C)c1O.C=CCc1cc(-c2cc(C)c(O)cc2C(C)C)cc(CC=C)c1O.C=CCc1cc(-c2cc(C)ccc2O)c(O)c(C(C)(C)C)c1O.CCCc1c(C)cc(C)c(-c2c(C)cc(C)c(CCC)c2O)c1O.Cc1c(O)c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1O.Cc1cc(O)c(-c2cc(C(C)C)c(O)c(C(C)C)c2)c(C)c1C.Cc1cc(O)c(C)c(O)c1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
• InChI: InChI=1S/C36H50O4.C22H30O3.C22H28O2.C22H30O2.2C22H26O2.C21H28O2.C20H24O3/c1-19-27(21-15-23(33(3,4)5)31(39)24(16-21)34(6,7)8)29(37)20(2)30(38)28(19)22-17-25(35(9,10)11)32(40)26(18-22)36(12,13)14;1-12-9-17(23)13(2)19(24)18(12)14-10-15(21(3,4)5)20(25)16(11-14)22(6,7)8;1-8-9-16-11-17(12-18(21(16)24)22(5,6)7)20-15(4)14(3)13(2)10-19(20)23;2*1-7-9-17-13(3)11-15(5)19(21(17)23)20-16(6)12-14(4)18(10-8-2)22(20)24;1-6-8-16-11-18(12-17(9-7-2)22(16)24)20-10-15(5)21(23)13-19(20)14(3)4;1-11(2)17-9-16(10-18(12(3)4)21(17)23)20-15(7)14(6)13(5)8-19(20)22;1-6-7-13-11-15(14-10-12(2)8-9-16(14)21)19(23)17(18(13)22)20(3,4)5/h15-18,37-40H,1-14H3;9-11,23-25H,1-8H3;8,10-12,23-24H,1,9H2,2-7H3;11-12,23-24H,7-10H2,1-6H3;7-8,11-12,23-24H,1-2,9-10H2,3-6H3;6-7,10-14,23-24H,1-2,8-9H2,3-5H3;8-12,22-23H,1-7H3;6,8-11,21-23H,1,7H2,2-5H3
• InChIKey: KDRADALVVVBHRJ-UHFFFAOYSA-N
• XLogP: 48.80
• TPSA: 404.60 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2809.97
LogP ≤ 5	48.80
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;2-tert-butyl-4-(2-hydroxy-5-methylphenyl)-6-prop-2-enylbenzene-1,3-diol;2-(3-tert-butyl-4-hydroxy-5-prop-2-enylphenyl)-3,4,5-trimethylphenol;4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol;2-(2-hydroxy-4,6-dimethyl-3-prop-2-enylphenyl)-3,5-dimethyl-6-prop-2-enylphenol;2-(2-hydroxy-4,6-dimethyl-3-propylphenyl)-3,5-dimethyl-6-propylphenol;2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-3,4,5-trimethylphenol?

The IUPAC name of 4,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;2-tert-butyl-4-(2-hydroxy-5-methylphenyl)-6-prop-2-enylbenzene-1,3-diol;2-(3-tert-butyl-4-hydroxy-5-prop-2-enylphenyl)-3,4,5-trimethylphenol;4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol;2-(2-hydroxy-4,6-dimethyl-3-prop-2-enylphenyl)-3,5-dimethyl-6-prop-2-enylphenol;2-(2-hydroxy-4,6-dimethyl-3-propylphenyl)-3,5-dimethyl-6-propylphenol;2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-3,4,5-trimethylphenol (CID 159104187) is 4,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;2-tert-butyl-4-(2-hydroxy-5-methylphenyl)-6-prop-2-enylbenzene-1,3-diol;2-(3-tert-butyl-4-hydroxy-5-prop-2-enylphenyl)-3,4,5-trimethylphenol;4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol;2-(2-hydroxy-4,6-dimethyl-3-prop-2-enylphenyl)-3,5-dimethyl-6-prop-2-enylphenol;2-(2-hydroxy-4,6-dimethyl-3-propylphenyl)-3,5-dimethyl-6-propylphenol;2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-3,4,5-trimethylphenol.

What is the SMILES notation for 4,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;2-tert-butyl-4-(2-hydroxy-5-methylphenyl)-6-prop-2-enylbenzene-1,3-diol;2-(3-tert-butyl-4-hydroxy-5-prop-2-enylphenyl)-3,4,5-trimethylphenol;4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol;2-(2-hydroxy-4,6-dimethyl-3-prop-2-enylphenyl)-3,5-dimethyl-6-prop-2-enylphenol;2-(2-hydroxy-4,6-dimethyl-3-propylphenyl)-3,5-dimethyl-6-propylphenol;2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-3,4,5-trimethylphenol?

The canonical SMILES for 4,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;2-tert-butyl-4-(2-hydroxy-5-methylphenyl)-6-prop-2-enylbenzene-1,3-diol;2-(3-tert-butyl-4-hydroxy-5-prop-2-enylphenyl)-3,4,5-trimethylphenol;4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol;2-(2-hydroxy-4,6-dimethyl-3-prop-2-enylphenyl)-3,5-dimethyl-6-prop-2-enylphenol;2-(2-hydroxy-4,6-dimethyl-3-propylphenyl)-3,5-dimethyl-6-propylphenol;2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-3,4,5-trimethylphenol is C=CCc1c(C)cc(C)c(-c2c(C)cc(C)c(CC=C)c2O)c1O.C=CCc1cc(-c2c(O)cc(C)c(C)c2C)cc(C(C)(C)C)c1O.C=CCc1cc(-c2cc(C)c(O)cc2C(C)C)cc(CC=C)c1O.C=CCc1cc(-c2cc(C)ccc2O)c(O)c(C(C)(C)C)c1O.CCCc1c(C)cc(C)c(-c2c(C)cc(C)c(CCC)c2O)c1O.Cc1c(O)c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1O.Cc1cc(O)c(-c2cc(C(C)C)c(O)c(C(C)C)c2)c(C)c1C.Cc1cc(O)c(C)c(O)c1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.

What is the InChIKey of 4,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;2-tert-butyl-4-(2-hydroxy-5-methylphenyl)-6-prop-2-enylbenzene-1,3-diol;2-(3-tert-butyl-4-hydroxy-5-prop-2-enylphenyl)-3,4,5-trimethylphenol;4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol;2-(2-hydroxy-4,6-dimethyl-3-prop-2-enylphenyl)-3,5-dimethyl-6-prop-2-enylphenol;2-(2-hydroxy-4,6-dimethyl-3-propylphenyl)-3,5-dimethyl-6-propylphenol;2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-3,4,5-trimethylphenol?

The InChIKey is KDRADALVVVBHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50O4.C22H30O3.C22H28O2.C22H30O2.2C22H26O2.C21H28O2.C20H24O3/c1-19-27(21-15-23(33(3,4)5)31(39)24(16-21)34(6,7)8)29(37)20(2)30(38)28(19)22-17-25(35(9,10)11)32(40)26(18-22)36(12,13)14;1-12-9-17(23)13(2)19(24)18(12)14-10-15(21(3,4)5)20(25)16(11-14)22(6,7)8;1-8-9-16-11-17(12-18(21(16)24)22(5,6)7)20-15(4)14(3)13(2)10-19(20)23;2*1-7-9-17-13(3)11-15(5)19(21(17)23)20-16(6)12-14(4)18(10-8-2)22(20)24;1-6-8-16-11-18(12-17(9-7-2)22(16)24)20-10-15(5)21(23)13-19(20)14(3)4;1-11(2)17-9-16(10-18(12(3)4)21(17)23)20-15(7)14(6)13(5)8-19(20)22;1-6-7-13-11-15(14-10-12(2)8-9-16(14)21)19(23)17(18(13)22)20(3,4)5/h15-18,37-40H,1-14H3;9-11,23-25H,1-8H3;8,10-12,23-24H,1,9H2,2-7H3;11-12,23-24H,7-10H2,1-6H3;7-8,11-12,23-24H,1-2,9-10H2,3-6H3;6-7,10-14,23-24H,1-2,8-9H2,3-5H3;8-12,22-23H,1-7H3;6,8-11,21-23H,1,7H2,2-5H3.

What are the key properties of 4,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;2-tert-butyl-4-(2-hydroxy-5-methylphenyl)-6-prop-2-enylbenzene-1,3-diol;2-(3-tert-butyl-4-hydroxy-5-prop-2-enylphenyl)-3,4,5-trimethylphenol;4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol;2-(2-hydroxy-4,6-dimethyl-3-prop-2-enylphenyl)-3,5-dimethyl-6-prop-2-enylphenol;2-(2-hydroxy-4,6-dimethyl-3-propylphenyl)-3,5-dimethyl-6-propylphenol;2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-3,4,5-trimethylphenol?

4,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;2-tert-butyl-4-(2-hydroxy-5-methylphenyl)-6-prop-2-enylbenzene-1,3-diol;2-(3-tert-butyl-4-hydroxy-5-prop-2-enylphenyl)-3,4,5-trimethylphenol;4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol;2-(2-hydroxy-4,6-dimethyl-3-prop-2-enylphenyl)-3,5-dimethyl-6-prop-2-enylphenol;2-(2-hydroxy-4,6-dimethyl-3-propylphenyl)-3,5-dimethyl-6-propylphenol;2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-3,4,5-trimethylphenol has a molecular weight of 2809.97 g/mol, XLogP of 48.80, 28 rotatable bonds, 20 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;2-tert-butyl-4-(2-hydroxy-5-methylphenyl)-6-prop-2-enylbenzene-1,3-diol;2-(3-tert-butyl-4-hydroxy-5-prop-2-enylphenyl)-3,4,5-trimethylphenol;4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylbenzene-1,3-diol;4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol;2-(2-hydroxy-4,6-dimethyl-3-prop-2-enylphenyl)-3,5-dimethyl-6-prop-2-enylphenol;2-(2-hydroxy-4,6-dimethyl-3-propylphenyl)-3,5-dimethyl-6-propylphenol;2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-3,4,5-trimethylphenol is sourced from PubChem (CID 159104187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).