4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol

C96H102O10 — CID 158190280

IUPAC4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol
SMILESCC(C)(c1ccc(C(c2ccc(O)c(O)c2)c2ccc(O)c(O)c2)cc1)c1ccc(O)c(O)c1.Cc1cc(C(C)(c2ccc(C(C)(C)c3cc(C)c(O)c(C)c3)cc2)c2cc(C)c(O)c(C)c2)cc(C)c1C.Cc1ccc(C(c2ccc(C(C)(C)c3ccc(O)c(C)c3)cc2)c2ccc(O)c(C)c2)cc1C
InChIInChI=1S/C36H42O2.C32H34O2.C28H26O6/c1-21-15-31(16-22(2)27(21)7)36(10,32-19-25(5)34(38)26(6)20-32)29-13-11-28(12-14-29)35(8,9)30-17-23(3)33(37)24(4)18-30;1-20-7-8-25(17-21(20)2)31(26-11-15-29(33)22(3)18-26)24-9-12-27(13-10-24)32(5,6)28-14-16-30(34)23(4)19-28;1-28(2,20-9-12-23(31)26(34)15-20)19-7-3-16(4-8-19)27(17-5-10-21(29)24(32)13-17)18-6-11-22(30)25(33)14-18/h11-20,37-38H,1-10H3;7-19,31,33-34H,1-6H3;3-15,27,29-34H,1-2H3
InChIKeyFZQZCLYYMBEPET-UHFFFAOYSA-N
MW1415.86 g/mol
LogP22.20
Rot. Bonds15

About 4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol

4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol (PubChem CID 158190280) has the molecular formula C96H102O10 and a molecular weight of 1415.86 g/mol. Its IUPAC name is 4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol
PubChem CID158190280
Molecular FormulaC96H102O10
Molecular Weight1415.86 g/mol
Exact Mass1414.75
IUPAC Name4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol
SMILESCC(C)(c1ccc(C(c2ccc(O)c(O)c2)c2ccc(O)c(O)c2)cc1)c1ccc(O)c(O)c1.Cc1cc(C(C)(c2ccc(C(C)(C)c3cc(C)c(O)c(C)c3)cc2)c2cc(C)c(O)c(C)c2)cc(C)c1C.Cc1ccc(C(c2ccc(C(C)(C)c3ccc(O)c(C)c3)cc2)c2ccc(O)c(C)c2)cc1C
InChIInChI=1S/C36H42O2.C32H34O2.C28H26O6/c1-21-15-31(16-22(2)27(21)7)36(10,32-19-25(5)34(38)26(6)20-32)29-13-11-28(12-14-29)35(8,9)30-17-23(3)33(37)24(4)18-30;1-20-7-8-25(17-21(20)2)31(26-11-15-29(33)22(3)18-26)24-9-12-27(13-10-24)32(5,6)28-14-16-30(34)23(4)19-28;1-28(2,20-9-12-23(31)26(34)15-20)19-7-3-16(4-8-19)27(17-5-10-21(29)24(32)13-17)18-6-11-22(30)25(33)14-18/h11-20,37-38H,1-10H3;7-19,31,33-34H,1-6H3;3-15,27,29-34H,1-2H3
InChIKeyFZQZCLYYMBEPET-UHFFFAOYSA-N
XLogP22.20
TPSA202.30 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001415.86
LogP ≤ 522.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol with MolForge

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Related Compounds

4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67024119
4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 118667410
4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 144899041
4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol
CID 22392546
4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol
CID 159558914
4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol
CID 160589266
2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 141474948
4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol
CID 125479229
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994
4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 68635784
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 159058899

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol?
The IUPAC name of 4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol (CID 158190280) is 4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol is CC(C)(c1ccc(C(c2ccc(O)c(O)c2)c2ccc(O)c(O)c2)cc1)c1ccc(O)c(O)c1.Cc1cc(C(C)(c2ccc(C(C)(C)c3cc(C)c(O)c(C)c3)cc2)c2cc(C)c(O)c(C)c2)cc(C)c1C.Cc1ccc(C(c2ccc(C(C)(C)c3ccc(O)c(C)c3)cc2)c2ccc(O)c(C)c2)cc1C.
What is the InChIKey of 4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol?
The InChIKey is FZQZCLYYMBEPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42O2.C32H34O2.C28H26O6/c1-21-15-31(16-22(2)27(21)7)36(10,32-19-25(5)34(38)26(6)20-32)29-13-11-28(12-14-29)35(8,9)30-17-23(3)33(37)24(4)18-30;1-20-7-8-25(17-21(20)2)31(26-11-15-29(33)22(3)18-26)24-9-12-27(13-10-24)32(5,6)28-14-16-30(34)23(4)19-28;1-28(2,20-9-12-23(31)26(34)15-20)19-7-3-16(4-8-19)27(17-5-10-21(29)24(32)13-17)18-6-11-22(30)25(33)14-18/h11-20,37-38H,1-10H3;7-19,31,33-34H,1-6H3;3-15,27,29-34H,1-2H3.
What are the key properties of 4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol?
4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol has a molecular weight of 1415.86 g/mol, XLogP of 22.20, 15 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol is sourced from PubChem (CID 158190280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).