2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

C56H82O4 — CID 102323518

IUPAC2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(-c2cc(C(C)(C)CC(C)(C)C)cc(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(C(C)(C)CC(C)(C)C)ccc4O)c3O)c2O)c1
InChIInChI=1S/C56H82O4/c1-49(2,3)31-53(13,14)35-21-23-45(57)39(25-35)41-27-37(55(17,18)33-51(7,8)9)29-43(47(41)59)44-30-38(56(19,20)34-52(10,11)12)28-42(48(44)60)40-26-36(22-24-46(40)58)54(15,16)32-50(4,5)6/h21-30,57-60H,31-34H2,1-20H3
InChIKeyNMIJFGYFNRUSEY-UHFFFAOYSA-N
MW819.27 g/mol
LogP16.37
Rot. Bonds11

About 2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 102323518) has the molecular formula C56H82O4 and a molecular weight of 819.27 g/mol. Its IUPAC name is 2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID102323518
Molecular FormulaC56H82O4
Molecular Weight819.27 g/mol
Exact Mass818.62
IUPAC Name2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(-c2cc(C(C)(C)CC(C)(C)C)cc(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(C(C)(C)CC(C)(C)C)ccc4O)c3O)c2O)c1
InChIInChI=1S/C56H82O4/c1-49(2,3)31-53(13,14)35-21-23-45(57)39(25-35)41-27-37(55(17,18)33-51(7,8)9)29-43(47(41)59)44-30-38(56(19,20)34-52(10,11)12)28-42(48(44)60)40-26-36(22-24-46(40)58)54(15,16)32-50(4,5)6/h21-30,57-60H,31-34H2,1-20H3
InChIKeyNMIJFGYFNRUSEY-UHFFFAOYSA-N
XLogP16.37
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.27
LogP ≤ 516.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol with MolForge

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Related Compounds

4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol
CID 10351338
2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 159896343
benzene-1,3-diol;4-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
CID 19086682
2-(3-fluorophenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 150514619
2-(2,7-ditert-butylcarbazol-9-yl)-6-(5-fluoro-2-hydroxyphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 138987021
2-phenyl-4-(2,4,4-trimethylpentan-2-yl)phenol;2H-triazole
CID 155126723
2-[4,6-bis[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-1,3,5-triazin-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)benzonitrile
CID 159436549
2-[[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]disulfanyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 159638292
2-(1-aminoethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 117377747
acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 6455739
2-[3-tert-butyl-5-(3,6-ditert-butylcarbazol-9-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 150565958
3,5-ditert-butylphenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 70461852

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 102323518) is 2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1ccc(O)c(-c2cc(C(C)(C)CC(C)(C)C)cc(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(C(C)(C)CC(C)(C)C)ccc4O)c3O)c2O)c1.
What is the InChIKey of 2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is NMIJFGYFNRUSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H82O4/c1-49(2,3)31-53(13,14)35-21-23-45(57)39(25-35)41-27-37(55(17,18)33-51(7,8)9)29-43(47(41)59)44-30-38(56(19,20)34-52(10,11)12)28-42(48(44)60)40-26-36(22-24-46(40)58)54(15,16)32-50(4,5)6/h21-30,57-60H,31-34H2,1-20H3.
What are the key properties of 2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 819.27 g/mol, XLogP of 16.37, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 102323518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).