4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol

C100H100O16 — CID 160612259

About 4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol

4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol (PubChem CID 160612259) has the molecular formula C100H100O16 and a molecular weight of 1557.88 g/mol. Its IUPAC name is 4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol.

Molecular Properties

• Compound Name: 4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol
• PubChem CID: 160612259
• Molecular Formula: C100H100O16
• Molecular Weight: 1557.88 g/mol
• Exact Mass: 1556.70
• IUPAC Name: 4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol
• SMILES: CCC(C)c1ccc(C(c2ccc(O)cc2O)c2ccc(O)cc2O)cc1.Cc1cc(C(c2ccc(O)cc2O)c2ccc(O)cc2O)c(C)cc1C1CCCCC1.Oc1ccc(C(c2ccc(-c3ccccc3)cc2)c2ccc(O)cc2O)c(O)c1.Oc1ccc(C(c2ccc(C3CCCCC3)cc2)c2ccc(O)cc2O)c(O)c1
• InChI: InChI=1S/C27H30O4.C25H26O4.C25H20O4.C23H24O4/c1-16-13-24(17(2)12-23(16)18-6-4-3-5-7-18)27(21-10-8-19(28)14-25(21)30)22-11-9-20(29)15-26(22)31;2*26-19-10-12-21(23(28)14-19)25(22-13-11-20(27)15-24(22)29)18-8-6-17(7-9-18)16-4-2-1-3-5-16;1-3-14(2)15-4-6-16(7-5-15)23(19-10-8-17(24)12-21(19)26)20-11-9-18(25)13-22(20)27/h8-15,18,27-31H,3-7H2,1-2H3;6-16,25-29H,1-5H2;1-15,25-29H;4-14,23-27H,3H2,1-2H3
• InChIKey: RFQGWAIFWGJYQN-UHFFFAOYSA-N
• XLogP: 22.65
• TPSA: 323.68 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1557.88
LogP ≤ 5	22.65
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol?

The IUPAC name of 4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol (CID 160612259) is 4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol.

What is the SMILES notation for 4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol?

The canonical SMILES for 4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol is CCC(C)c1ccc(C(c2ccc(O)cc2O)c2ccc(O)cc2O)cc1.Cc1cc(C(c2ccc(O)cc2O)c2ccc(O)cc2O)c(C)cc1C1CCCCC1.Oc1ccc(C(c2ccc(-c3ccccc3)cc2)c2ccc(O)cc2O)c(O)c1.Oc1ccc(C(c2ccc(C3CCCCC3)cc2)c2ccc(O)cc2O)c(O)c1.

What is the InChIKey of 4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol?

The InChIKey is RFQGWAIFWGJYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O4.C25H26O4.C25H20O4.C23H24O4/c1-16-13-24(17(2)12-23(16)18-6-4-3-5-7-18)27(21-10-8-19(28)14-25(21)30)22-11-9-20(29)15-26(22)31;2*26-19-10-12-21(23(28)14-19)25(22-13-11-20(27)15-24(22)29)18-8-6-17(7-9-18)16-4-2-1-3-5-16;1-3-14(2)15-4-6-16(7-5-15)23(19-10-8-17(24)12-21(19)26)20-11-9-18(25)13-22(20)27/h8-15,18,27-31H,3-7H2,1-2H3;6-16,25-29H,1-5H2;1-15,25-29H;4-14,23-27H,3H2,1-2H3.

What are the key properties of 4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol?

4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol has a molecular weight of 1557.88 g/mol, XLogP of 22.65, 17 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol is sourced from PubChem (CID 160612259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).