4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol

C42H52O4 — CID 90829503

IUPAC4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol
SMILESCC(C)(C)c1ccc(O)c(C(=C(c2cc(C(C)(C)C)ccc2O)c2cc(C(C)(C)C)ccc2O)c2cc(C(C)(C)C)ccc2O)c1
InChIInChI=1S/C42H52O4/c1-39(2,3)25-13-17-33(43)29(21-25)37(30-22-26(40(4,5)6)14-18-34(30)44)38(31-23-27(41(7,8)9)15-19-35(31)45)32-24-28(42(10,11)12)16-20-36(32)46/h13-24,43-46H,1-12H3
InChIKeyOLVYEAFUPFDGCV-UHFFFAOYSA-N
MW620.87 g/mol
LogP10.71
Rot. Bonds4

About 4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol

4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol (PubChem CID 90829503) has the molecular formula C42H52O4 and a molecular weight of 620.87 g/mol. Its IUPAC name is 4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol
PubChem CID90829503
Molecular FormulaC42H52O4
Molecular Weight620.87 g/mol
Exact Mass620.39
IUPAC Name4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol
SMILESCC(C)(C)c1ccc(O)c(C(=C(c2cc(C(C)(C)C)ccc2O)c2cc(C(C)(C)C)ccc2O)c2cc(C(C)(C)C)ccc2O)c1
InChIInChI=1S/C42H52O4/c1-39(2,3)25-13-17-33(43)29(21-25)37(30-22-26(40(4,5)6)14-18-34(30)44)38(31-23-27(41(7,8)9)15-19-35(31)45)32-24-28(42(10,11)12)16-20-36(32)46/h13-24,43-46H,1-12H3
InChIKeyOLVYEAFUPFDGCV-UHFFFAOYSA-N
XLogP10.71
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.87
LogP ≤ 510.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol?
The IUPAC name of 4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol (CID 90829503) is 4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol is CC(C)(C)c1ccc(O)c(C(=C(c2cc(C(C)(C)C)ccc2O)c2cc(C(C)(C)C)ccc2O)c2cc(C(C)(C)C)ccc2O)c1.
What is the InChIKey of 4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol?
The InChIKey is OLVYEAFUPFDGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H52O4/c1-39(2,3)25-13-17-33(43)29(21-25)37(30-22-26(40(4,5)6)14-18-34(30)44)38(31-23-27(41(7,8)9)15-19-35(31)45)32-24-28(42(10,11)12)16-20-36(32)46/h13-24,43-46H,1-12H3.
What are the key properties of 4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol?
4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol has a molecular weight of 620.87 g/mol, XLogP of 10.71, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol is sourced from PubChem (CID 90829503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).