4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol

C83H88O9 — CID 172738115

IUPAC4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
SMILESCc1cc(Cc2cc(CC(c3ccc(C(C)(C)c4cc(Cc5cc(C)c(O)c(C)c5)c(O)c(Cc5cc(C)c(O)c(C)c5)c4)cc3)c3cc(Cc4cc(C)c(O)c(C)c4)c(O)c(Cc4cc(C)c(O)c(C)c4)c3)cc(Cc3cc(C)c(O)c(C)c3)c2O)cc(C)c1O
InChIInChI=1S/C83H88O9/c1-44-19-56(20-45(2)74(44)84)31-65-37-62(38-66(80(65)90)32-57-21-46(3)75(85)47(4)22-57)39-73(64-40-67(33-58-23-48(5)76(86)49(6)24-58)81(91)68(41-64)34-59-25-50(7)77(87)51(8)26-59)63-15-17-71(18-16-63)83(13,14)72-42-69(35-60-27-52(9)78(88)53(10)28-60)82(92)70(43-72)36-61-29-54(11)79(89)55(12)30-61/h15-30,37-38,40-43,73,84-92H,31-36,39H2,1-14H3
InChIKeyISJVOMDIFKYDHV-UHFFFAOYSA-N
MW1229.61 g/mol
LogP17.98
Rot. Bonds18

About 4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol

4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol (PubChem CID 172738115) has the molecular formula C83H88O9 and a molecular weight of 1229.61 g/mol. Its IUPAC name is 4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
PubChem CID172738115
Molecular FormulaC83H88O9
Molecular Weight1229.61 g/mol
Exact Mass1228.64
IUPAC Name4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
SMILESCc1cc(Cc2cc(CC(c3ccc(C(C)(C)c4cc(Cc5cc(C)c(O)c(C)c5)c(O)c(Cc5cc(C)c(O)c(C)c5)c4)cc3)c3cc(Cc4cc(C)c(O)c(C)c4)c(O)c(Cc4cc(C)c(O)c(C)c4)c3)cc(Cc3cc(C)c(O)c(C)c3)c2O)cc(C)c1O
InChIInChI=1S/C83H88O9/c1-44-19-56(20-45(2)74(44)84)31-65-37-62(38-66(80(65)90)32-57-21-46(3)75(85)47(4)22-57)39-73(64-40-67(33-58-23-48(5)76(86)49(6)24-58)81(91)68(41-64)34-59-25-50(7)77(87)51(8)26-59)63-15-17-71(18-16-63)83(13,14)72-42-69(35-60-27-52(9)78(88)53(10)28-60)82(92)70(43-72)36-61-29-54(11)79(89)55(12)30-61/h15-30,37-38,40-43,73,84-92H,31-36,39H2,1-14H3
InChIKeyISJVOMDIFKYDHV-UHFFFAOYSA-N
XLogP17.98
TPSA182.07 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001229.61
LogP ≤ 517.98
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze 4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 159058899
2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67945373
2-[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-[[3-[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol
CID 68895070
4-[2-[4-[1,1-bis[4-hydroxy-3-[(2-hydroxy-5-propan-2-ylphenyl)methyl]-5-[(3-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)methyl]phenol
CID 87854608
4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol
CID 143901395
2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 20743757
4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol
CID 22925753
4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol
CID 139730206
1-[5-[[4-[[3-acetyl-4-hydroxy-5-(methoxymethyl)phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;2,6-bis[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4-methylphenol;4-[2-[4-[1-[3-(ethoxymethyl)-4-hydroxy-5-(2-methoxyethyl)phenyl]-1-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol;1-[2-hydroxy-5-[[2-hydroxy-3-[[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-5-methylphenyl]methyl]-3-(methoxymethyl)phenyl]ethanone
CID 158859529
4-[2-[3,5-bis[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol
CID 158556044
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol (CID 172738115) is 4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol is Cc1cc(Cc2cc(CC(c3ccc(C(C)(C)c4cc(Cc5cc(C)c(O)c(C)c5)c(O)c(Cc5cc(C)c(O)c(C)c5)c4)cc3)c3cc(Cc4cc(C)c(O)c(C)c4)c(O)c(Cc4cc(C)c(O)c(C)c4)c3)cc(Cc3cc(C)c(O)c(C)c3)c2O)cc(C)c1O.
What is the InChIKey of 4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol?
The InChIKey is ISJVOMDIFKYDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H88O9/c1-44-19-56(20-45(2)74(44)84)31-65-37-62(38-66(80(65)90)32-57-21-46(3)75(85)47(4)22-57)39-73(64-40-67(33-58-23-48(5)76(86)49(6)24-58)81(91)68(41-64)34-59-25-50(7)77(87)51(8)26-59)63-15-17-71(18-16-63)83(13,14)72-42-69(35-60-27-52(9)78(88)53(10)28-60)82(92)70(43-72)36-61-29-54(11)79(89)55(12)30-61/h15-30,37-38,40-43,73,84-92H,31-36,39H2,1-14H3.
What are the key properties of 4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol?
4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol has a molecular weight of 1229.61 g/mol, XLogP of 17.98, 18 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-5-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-2-[4-[2-[4-hydroxy-3,5-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]propan-2-yl]phenyl]ethyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 172738115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).