4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol

C69H76O8 — CID 88558111

IUPAC4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol
SMILESCCOc1cc(O)c(C(c2ccc(C)cc2C)c2cc(C(c3ccc(C)cc3C)c3cc(C(c4ccc(C)cc4C)c4ccc(O)cc4OCC)c(O)cc3OCC)c(O)cc2OCC)cc1C(C)c1ccc(C)cc1C
InChIInChI=1S/C69H76O8/c1-14-74-63-32-48(70)22-27-53(63)67(50-24-19-40(6)29-44(50)10)56-34-58(65(76-16-3)37-61(56)72)69(52-26-21-42(8)31-46(52)12)57-35-59(66(77-17-4)38-62(57)73)68(51-25-20-41(7)30-45(51)11)55-33-54(64(75-15-2)36-60(55)71)47(13)49-23-18-39(5)28-43(49)9/h18-38,47,67-73H,14-17H2,1-13H3
InChIKeyTVJIWNIJJSUJGP-UHFFFAOYSA-N
MW1033.36 g/mol
LogP16.26
Rot. Bonds19

About 4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol

4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol (PubChem CID 88558111) has the molecular formula C69H76O8 and a molecular weight of 1033.36 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol
PubChem CID88558111
Molecular FormulaC69H76O8
Molecular Weight1033.36 g/mol
Exact Mass1032.55
IUPAC Name4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol
SMILESCCOc1cc(O)c(C(c2ccc(C)cc2C)c2cc(C(c3ccc(C)cc3C)c3cc(C(c4ccc(C)cc4C)c4ccc(O)cc4OCC)c(O)cc3OCC)c(O)cc2OCC)cc1C(C)c1ccc(C)cc1C
InChIInChI=1S/C69H76O8/c1-14-74-63-32-48(70)22-27-53(63)67(50-24-19-40(6)29-44(50)10)56-34-58(65(76-16-3)37-61(56)72)69(52-26-21-42(8)31-46(52)12)57-35-59(66(77-17-4)38-62(57)73)68(51-25-20-41(7)30-45(51)11)55-33-54(64(75-15-2)36-60(55)71)47(13)49-23-18-39(5)28-43(49)9/h18-38,47,67-73H,14-17H2,1-13H3
InChIKeyTVJIWNIJJSUJGP-UHFFFAOYSA-N
XLogP16.26
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.36
LogP ≤ 516.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol with MolForge

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Related Compounds

4-[1-[2-ethoxy-5-[[2-ethoxy-5-[[2-ethoxy-5-[(2-ethoxy-4-methylphenyl)-(4-hydroxyphenyl)methyl]-4-methylphenyl]-(4-hydroxyphenyl)methyl]-4-methylphenyl]-(4-hydroxyphenyl)methyl]-4-methylphenyl]ethyl]phenol
CID 89381517
3-ethoxy-4-[1-(2-ethoxy-4-hydroxyphenyl)propyl]phenol
CID 70566041
1-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 63639272
1-bromo-1-(2-ethoxy-4-hydroxyphenyl)propan-2-one
CID 131365350
1-[1-(2,4-dimethylphenyl)ethyl]-2,3,4-trimethylbenzene
CID 173435517
2,4-dimethyl-1-[1-(2-methylphenyl)ethyl]benzene
CID 54473191
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
4-butan-2-yl-3-methylphenol
CID 21413615
ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate
CID 55120967
2-[(2,4-dimethylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;4-[(2,4-dimethylphenyl)-[4-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-2-(2-hydroxyphenyl)phenol;2-[(4-ethylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;4-[(4-ethylphenyl)-[4-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-2-(2-hydroxyphenyl)phenol
CID 157445165
1-(5-bromo-2-ethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43487365
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one;3-methyl-4-propan-2-ylphenol
CID 175307667

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol?
The IUPAC name of 4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol (CID 88558111) is 4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol?
The canonical SMILES for 4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol is CCOc1cc(O)c(C(c2ccc(C)cc2C)c2cc(C(c3ccc(C)cc3C)c3cc(C(c4ccc(C)cc4C)c4ccc(O)cc4OCC)c(O)cc3OCC)c(O)cc2OCC)cc1C(C)c1ccc(C)cc1C.
What is the InChIKey of 4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol?
The InChIKey is TVJIWNIJJSUJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H76O8/c1-14-74-63-32-48(70)22-27-53(63)67(50-24-19-40(6)29-44(50)10)56-34-58(65(76-16-3)37-61(56)72)69(52-26-21-42(8)31-46(52)12)57-35-59(66(77-17-4)38-62(57)73)68(51-25-20-41(7)30-45(51)11)55-33-54(64(75-15-2)36-60(55)71)47(13)49-23-18-39(5)28-43(49)9/h18-38,47,67-73H,14-17H2,1-13H3.
What are the key properties of 4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol?
4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol has a molecular weight of 1033.36 g/mol, XLogP of 16.26, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)-[5-[(2,4-dimethylphenyl)-[5-[1-(2,4-dimethylphenyl)ethyl]-4-ethoxy-2-hydroxyphenyl]methyl]-4-ethoxy-2-hydroxyphenyl]methyl]-2-[(2,4-dimethylphenyl)-(2-ethoxy-4-hydroxyphenyl)methyl]-5-ethoxyphenol is sourced from PubChem (CID 88558111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).