4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol

C77H86O8 — CID 54154078

IUPAC4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol
SMILESCc1cc(C(c2ccc(C(c3cc(C)c(O)c(C)c3)c3cc(C)c(O)c(C)c3)cc2)c2cc(C)c(O)c(C)c2)cc(C)c1O.Cc1cc(CCC(CCc2cc(C)c(O)c(C)c2)(c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C40H42O4.C37H44O4/c1-21-13-31(14-22(2)37(21)41)35(32-15-23(3)38(42)24(4)16-32)29-9-11-30(12-10-29)36(33-17-25(5)39(43)26(6)18-33)34-19-27(7)40(44)28(8)20-34;1-21-13-29(14-22(2)33(21)38)9-11-37(31-17-25(5)35(40)26(6)18-31,32-19-27(7)36(41)28(8)20-32)12-10-30-15-23(3)34(39)24(4)16-30/h9-20,35-36,41-44H,1-8H3;13-20,38-41H,9-12H2,1-8H3
InChIKeyOJUQFLBOGOBJNU-UHFFFAOYSA-N
MW1139.53 g/mol
LogP17.86
Rot. Bonds14

About 4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol

4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol (PubChem CID 54154078) has the molecular formula C77H86O8 and a molecular weight of 1139.53 g/mol. Its IUPAC name is 4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol.

Molecular Properties

Compound Name4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol
PubChem CID54154078
Molecular FormulaC77H86O8
Molecular Weight1139.53 g/mol
Exact Mass1138.63
IUPAC Name4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol
SMILESCc1cc(C(c2ccc(C(c3cc(C)c(O)c(C)c3)c3cc(C)c(O)c(C)c3)cc2)c2cc(C)c(O)c(C)c2)cc(C)c1O.Cc1cc(CCC(CCc2cc(C)c(O)c(C)c2)(c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C40H42O4.C37H44O4/c1-21-13-31(14-22(2)37(21)41)35(32-15-23(3)38(42)24(4)16-32)29-9-11-30(12-10-29)36(33-17-25(5)39(43)26(6)18-33)34-19-27(7)40(44)28(8)20-34;1-21-13-29(14-22(2)33(21)38)9-11-37(31-17-25(5)35(40)26(6)18-31,32-19-27(7)36(41)28(8)20-32)12-10-30-15-23(3)34(39)24(4)16-30/h9-20,35-36,41-44H,1-8H3;13-20,38-41H,9-12H2,1-8H3
InChIKeyOJUQFLBOGOBJNU-UHFFFAOYSA-N
XLogP17.86
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001139.53
LogP ≤ 517.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol with MolForge

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Related Compounds

4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol
CID 58676222
4-[3,3-bis(4-hydroxy-3,5-dimethylphenyl)-5-(4-hydroxy-3-methylphenyl)pentyl]-2,6-dimethylphenol
CID 134238252
4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 118667410
4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;nitromethane
CID 139145272
4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol
CID 139730206
4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2,6-dimethylphenol
CID 70988485
2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol
CID 59638972
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
5-[bis(4-ethylphenyl)methyl]-2-hydroxy-3-methylbenzoic acid
CID 139751325
ethane;4-[1-(4-hydroxy-3-methylphenyl)-3,5-bis(4-hydroxyphenyl)pentan-3-yl]-2-methyl-6-sulfanylphenol
CID 145217054
4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol
CID 139962444

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol?
The IUPAC name of 4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol (CID 54154078) is 4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol.
What is the SMILES notation for 4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol?
The canonical SMILES for 4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol is Cc1cc(C(c2ccc(C(c3cc(C)c(O)c(C)c3)c3cc(C)c(O)c(C)c3)cc2)c2cc(C)c(O)c(C)c2)cc(C)c1O.Cc1cc(CCC(CCc2cc(C)c(O)c(C)c2)(c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)cc(C)c1O.
What is the InChIKey of 4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol?
The InChIKey is OJUQFLBOGOBJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42O4.C37H44O4/c1-21-13-31(14-22(2)37(21)41)35(32-15-23(3)38(42)24(4)16-32)29-9-11-30(12-10-29)36(33-17-25(5)39(43)26(6)18-33)34-19-27(7)40(44)28(8)20-34;1-21-13-29(14-22(2)33(21)38)9-11-37(31-17-25(5)35(40)26(6)18-31,32-19-27(7)36(41)28(8)20-32)12-10-30-15-23(3)34(39)24(4)16-30/h9-20,35-36,41-44H,1-8H3;13-20,38-41H,9-12H2,1-8H3.
What are the key properties of 4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol?
4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol has a molecular weight of 1139.53 g/mol, XLogP of 17.86, 14 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol is sourced from PubChem (CID 54154078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).