bis[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]methanone;1-[[2-hydroxy-5-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]sulfonyl-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol;4-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol

C138H112O21S — CID 159716741

About bis[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]methanone;1-[[2-hydroxy-5-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]sulfonyl-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol;4-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol

bis[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]methanone;1-[[2-hydroxy-5-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]sulfonyl-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol;4-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol (PubChem CID 159716741) has the molecular formula C138H112O21S and a molecular weight of 2138.46 g/mol. Its IUPAC name is bis[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]methanone;1-[[2-hydroxy-5-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]sulfonyl-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol;4-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

• Compound Name: bis[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]methanone;1-[[2-hydroxy-5-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]sulfonyl-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol;4-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol
• PubChem CID: 159716741
• Molecular Formula: C138H112O21S
• Molecular Weight: 2138.46 g/mol
• Exact Mass: 2136.74
• IUPAC Name: bis[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]methanone;1-[[2-hydroxy-5-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]sulfonyl-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol;4-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol
• SMILES: Cc1cc(O)ccc1Cc1cc(-c2cc(Cc3ccc(O)cc3)c(O)c(Cc3ccc(O)cc3)c2)cc(Cc2ccc(O)cc2)c1O.O=C(c1cc(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c1)c1cc(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c1.O=S(=O)(c1cc(Cc2c(O)ccc3ccccc23)c(O)c(Cc2c(O)ccc3ccccc23)c1)c1cc(Cc2c(O)ccc3ccccc23)c(O)c(Cc2c(O)ccc3ccccc23)c1
• InChI: InChI=1S/C56H42O8S.C41H34O7.C41H36O6/c57-51-21-17-33-9-1-5-13-43(33)47(51)29-37-25-41(26-38(55(37)61)30-48-44-14-6-2-10-34(44)18-22-52(48)58)65(63,64)42-27-39(31-49-45-15-7-3-11-35(45)19-23-53(49)59)56(62)40(28-42)32-50-46-16-8-4-12-36(46)20-24-54(50)60;42-35-9-1-25(2-10-35)17-29-21-33(22-30(39(29)46)18-26-3-11-36(43)12-4-26)41(48)34-23-31(19-27-5-13-37(44)14-6-27)40(47)32(24-34)20-28-7-15-38(45)16-8-28;1-25-16-39(45)15-8-29(25)20-35-24-31(23-34(41(35)47)19-28-6-13-38(44)14-7-28)30-21-32(17-26-2-9-36(42)10-3-26)40(46)33(22-30)18-27-4-11-37(43)12-5-27/h1-28,57-62H,29-32H2;1-16,21-24,42-47H,17-20H2;2-16,21-24,42-47H,17-20H2,1H3
• InChIKey: MZNKPJUGOIZXOH-UHFFFAOYSA-N
• XLogP: 27.50
• TPSA: 415.35 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 21
• Rotatable Bonds: 29
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2138.46
LogP ≤ 5	27.50
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of bis[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]methanone;1-[[2-hydroxy-5-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]sulfonyl-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol;4-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol?

The IUPAC name of bis[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]methanone;1-[[2-hydroxy-5-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]sulfonyl-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol;4-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol (CID 159716741) is bis[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]methanone;1-[[2-hydroxy-5-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]sulfonyl-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol;4-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol.

What is the SMILES notation for bis[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]methanone;1-[[2-hydroxy-5-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]sulfonyl-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol;4-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol?

The canonical SMILES for bis[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]methanone;1-[[2-hydroxy-5-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]sulfonyl-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol;4-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol is Cc1cc(O)ccc1Cc1cc(-c2cc(Cc3ccc(O)cc3)c(O)c(Cc3ccc(O)cc3)c2)cc(Cc2ccc(O)cc2)c1O.O=C(c1cc(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c1)c1cc(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c1.O=S(=O)(c1cc(Cc2c(O)ccc3ccccc23)c(O)c(Cc2c(O)ccc3ccccc23)c1)c1cc(Cc2c(O)ccc3ccccc23)c(O)c(Cc2c(O)ccc3ccccc23)c1.

What is the InChIKey of bis[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]methanone;1-[[2-hydroxy-5-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]sulfonyl-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol;4-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol?

The InChIKey is MZNKPJUGOIZXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42O8S.C41H34O7.C41H36O6/c57-51-21-17-33-9-1-5-13-43(33)47(51)29-37-25-41(26-38(55(37)61)30-48-44-14-6-2-10-34(44)18-22-52(48)58)65(63,64)42-27-39(31-49-45-15-7-3-11-35(45)19-23-53(49)59)56(62)40(28-42)32-50-46-16-8-4-12-36(46)20-24-54(50)60;42-35-9-1-25(2-10-35)17-29-21-33(22-30(39(29)46)18-26-3-11-36(43)12-4-26)41(48)34-23-31(19-27-5-13-37(44)14-6-27)40(47)32(24-34)20-28-7-15-38(45)16-8-28;1-25-16-39(45)15-8-29(25)20-35-24-31(23-34(41(35)47)19-28-6-13-38(44)14-7-28)30-21-32(17-26-2-9-36(42)10-3-26)40(46)33(22-30)18-27-4-11-37(43)12-5-27/h1-28,57-62H,29-32H2;1-16,21-24,42-47H,17-20H2;2-16,21-24,42-47H,17-20H2,1H3.

What are the key properties of bis[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]methanone;1-[[2-hydroxy-5-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]sulfonyl-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol;4-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol?

bis[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]methanone;1-[[2-hydroxy-5-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]sulfonyl-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol;4-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol has a molecular weight of 2138.46 g/mol, XLogP of 27.50, 29 rotatable bonds, 18 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for bis[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]methanone;1-[[2-hydroxy-5-[4-hydroxy-3,5-bis[(2-hydroxynaphthalen-1-yl)methyl]phenyl]sulfonyl-3-[(2-hydroxynaphthalen-1-yl)methyl]phenyl]methyl]naphthalen-2-ol;4-[4-hydroxy-3-[(4-hydroxy-2-methylphenyl)methyl]-5-[(4-hydroxyphenyl)methyl]phenyl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 159716741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).