2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol

C56H58O10 — CID 88558990

About 2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol

2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol (PubChem CID 88558990) has the molecular formula C56H58O10 and a molecular weight of 891.07 g/mol. Its IUPAC name is 2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol.

Molecular Properties

• Compound Name: 2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol
• PubChem CID: 88558990
• Molecular Formula: C56H58O10
• Molecular Weight: 891.07 g/mol
• Exact Mass: 890.40
• IUPAC Name: 2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol
• SMILES: Cc1cc(Cc2cc(C)c(O)c(Cc3cc(C)c(O)c(Cc4ccc(O)cc4O)c3C)c2C)c(O)c(Cc2cc(C)c(O)c(Cc3cc(C)c(O)c(Cc4ccc(O)cc4O)c3C)c2O)c1
• InChI: InChI=1S/C56H58O10/c1-27-13-40(19-37-15-28(2)53(63)47(32(37)6)23-38-16-29(3)51(61)45(33(38)7)21-35-9-11-43(57)25-49(35)59)55(65)41(14-27)20-42-18-31(5)54(64)48(56(42)66)24-39-17-30(4)52(62)46(34(39)8)22-36-10-12-44(58)26-50(36)60/h9-18,25-26,57-66H,19-24H2,1-8H3
• InChIKey: JQCOCSPQAXNPCS-UHFFFAOYSA-N
• XLogP: 10.75
• TPSA: 202.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	891.07
LogP ≤ 5	10.75
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol?

The IUPAC name of 2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol (CID 88558990) is 2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol.

What is the SMILES notation for 2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol?

The canonical SMILES for 2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol is Cc1cc(Cc2cc(C)c(O)c(Cc3cc(C)c(O)c(Cc4ccc(O)cc4O)c3C)c2C)c(O)c(Cc2cc(C)c(O)c(Cc3cc(C)c(O)c(Cc4ccc(O)cc4O)c3C)c2O)c1.

What is the InChIKey of 2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol?

The InChIKey is JQCOCSPQAXNPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H58O10/c1-27-13-40(19-37-15-28(2)53(63)47(32(37)6)23-38-16-29(3)51(61)45(33(38)7)21-35-9-11-43(57)25-49(35)59)55(65)41(14-27)20-42-18-31(5)54(64)48(56(42)66)24-39-17-30(4)52(62)46(34(39)8)22-36-10-12-44(58)26-50(36)60/h9-18,25-26,57-66H,19-24H2,1-8H3.

What are the key properties of 2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol?

2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol has a molecular weight of 891.07 g/mol, XLogP of 10.75, 12 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-[[3-[[3-[[3-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-4-hydroxy-2,5-dimethylphenyl]methyl]-2-hydroxy-5-methylphenyl]methyl]-6-methylbenzene-1,3-diol is sourced from PubChem (CID 88558990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).