4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol

C135H154O31 — CID 167657189

About 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol

4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol (PubChem CID 167657189) has the molecular formula C135H154O31 and a molecular weight of 2272.69 g/mol. Its IUPAC name is 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol.

Molecular Properties

• Compound Name: 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol
• PubChem CID: 167657189
• Molecular Formula: C135H154O31
• Molecular Weight: 2272.69 g/mol
• Exact Mass: 2271.05
• IUPAC Name: 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol
• SMILES: CCc1cc(C(C)(C)c2ccc(C(C)(c3cc(CO)c(O)c(CO)c3)c3cc(CO)c(O)c(CO)c3)cc2)cc(CO)c1O.CCc1cc(C(C)(c2cc(CO)c(O)c(CO)c2)c2cc(CO)c(O)c(CO)c2)cc(CO)c1O.COCc1cc(C(C)(C)c2ccc(C(C)(c3cc(COC)c(O)c(COC)c3)c3cc(COC)c(O)c(COC)c3)cc2)cc(COC)c1O.OCc1cc(Cc2c3ccccc3c(-c3cc(CO)c(O)c(CO)c3)c3ccccc23)cc(CO)c1O
• InChI: InChI=1S/C41H52O9.C36H42O8.C31H28O6.C27H32O8/c1-40(2,34-14-26(20-45-4)37(42)27(15-34)21-46-5)32-10-12-33(13-11-32)41(3,35-16-28(22-47-6)38(43)29(17-35)23-48-7)36-18-30(24-49-8)39(44)31(19-36)25-50-9;1-5-21-10-29(11-22(16-37)32(21)42)35(2,3)27-6-8-28(9-7-27)36(4,30-12-23(17-38)33(43)24(13-30)18-39)31-14-25(19-40)34(44)26(15-31)20-41;32-14-20-9-18(10-21(15-33)30(20)36)11-28-24-5-1-3-7-26(24)29(27-8-4-2-6-25(27)28)19-12-22(16-34)31(37)23(13-19)17-35;1-3-15-4-21(5-16(10-28)24(15)33)27(2,22-6-17(11-29)25(34)18(7-22)12-30)23-8-19(13-31)26(35)20(9-23)14-32/h10-19,42-44H,20-25H2,1-9H3;6-15,37-44H,5,16-20H2,1-4H3;1-10,12-13,32-37H,11,14-17H2;4-9,28-35H,3,10-14H2,1-2H3
• InChIKey: RKSZJRXVNQECTF-UHFFFAOYSA-N
• XLogP: 18.68
• TPSA: 561.13 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 31
• Rotatable Bonds: 44
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2272.69
LogP ≤ 5	18.68
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol?

The IUPAC name of 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol (CID 167657189) is 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol.

What is the SMILES notation for 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol?

The canonical SMILES for 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol is CCc1cc(C(C)(C)c2ccc(C(C)(c3cc(CO)c(O)c(CO)c3)c3cc(CO)c(O)c(CO)c3)cc2)cc(CO)c1O.CCc1cc(C(C)(c2cc(CO)c(O)c(CO)c2)c2cc(CO)c(O)c(CO)c2)cc(CO)c1O.COCc1cc(C(C)(C)c2ccc(C(C)(c3cc(COC)c(O)c(COC)c3)c3cc(COC)c(O)c(COC)c3)cc2)cc(COC)c1O.OCc1cc(Cc2c3ccccc3c(-c3cc(CO)c(O)c(CO)c3)c3ccccc23)cc(CO)c1O.

What is the InChIKey of 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol?

The InChIKey is RKSZJRXVNQECTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H52O9.C36H42O8.C31H28O6.C27H32O8/c1-40(2,34-14-26(20-45-4)37(42)27(15-34)21-46-5)32-10-12-33(13-11-32)41(3,35-16-28(22-47-6)38(43)29(17-35)23-48-7)36-18-30(24-49-8)39(44)31(19-36)25-50-9;1-5-21-10-29(11-22(16-37)32(21)42)35(2,3)27-6-8-28(9-7-27)36(4,30-12-23(17-38)33(43)24(13-30)18-39)31-14-25(19-40)34(44)26(15-31)20-41;32-14-20-9-18(10-21(15-33)30(20)36)11-28-24-5-1-3-7-26(24)29(27-8-4-2-6-25(27)28)19-12-22(16-34)31(37)23(13-19)17-35;1-3-15-4-21(5-16(10-28)24(15)33)27(2,22-6-17(11-29)25(34)18(7-22)12-30)23-8-19(13-31)26(35)20(9-23)14-32/h10-19,42-44H,20-25H2,1-9H3;6-15,37-44H,5,16-20H2,1-4H3;1-10,12-13,32-37H,11,14-17H2;4-9,28-35H,3,10-14H2,1-2H3.

What are the key properties of 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol?

4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol has a molecular weight of 2272.69 g/mol, XLogP of 18.68, 44 rotatable bonds, 25 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2-ethyl-6-(hydroxymethyl)phenol;4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(methoxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol is sourced from PubChem (CID 167657189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).