4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol

C36H40O4 — CID 135254228

IUPAC4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol
SMILESC/C(=C/C(C)(CC(C)(CC(C)(C)c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C36H40O4/c1-25(26-6-14-30(37)15-7-26)22-35(4,28-10-18-32(39)19-11-28)24-36(5,29-12-20-33(40)21-13-29)23-34(2,3)27-8-16-31(38)17-9-27/h6-22,37-40H,23-24H2,1-5H3/b25-22-
InChIKeyUIGSARDOHXERCU-LVWGJNHUSA-N
MW536.71 g/mol
LogP8.59
Rot. Bonds9

About 4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol

4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol (PubChem CID 135254228) has the molecular formula C36H40O4 and a molecular weight of 536.71 g/mol. Its IUPAC name is 4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol.

Molecular Properties

Compound Name4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol
PubChem CID135254228
Molecular FormulaC36H40O4
Molecular Weight536.71 g/mol
Exact Mass536.29
IUPAC Name4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol
SMILESC/C(=C/C(C)(CC(C)(CC(C)(C)c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C36H40O4/c1-25(26-6-14-30(37)15-7-26)22-35(4,28-10-18-32(39)19-11-28)24-36(5,29-12-20-33(40)21-13-29)23-34(2,3)27-8-16-31(38)17-9-27/h6-22,37-40H,23-24H2,1-5H3/b25-22-
InChIKeyUIGSARDOHXERCU-LVWGJNHUSA-N
XLogP8.59
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.71
LogP ≤ 58.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 6455739
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol
CID 58779359
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
disodium bisphenol-A
CID 66941220
4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 161085826
dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 158726740
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173033429
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639
4-tert-butylphenol;cobalt
CID 174380967
3,5-ditert-butylphenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 70461852
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol?
The IUPAC name of 4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol (CID 135254228) is 4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol.
What is the SMILES notation for 4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol?
The canonical SMILES for 4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol is C/C(=C/C(C)(CC(C)(CC(C)(C)c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol?
The InChIKey is UIGSARDOHXERCU-LVWGJNHUSA-N. The full InChI is InChI=1S/C36H40O4/c1-25(26-6-14-30(37)15-7-26)22-35(4,28-10-18-32(39)19-11-28)24-36(5,29-12-20-33(40)21-13-29)23-34(2,3)27-8-16-31(38)17-9-27/h6-22,37-40H,23-24H2,1-5H3/b25-22-.
What are the key properties of 4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol?
4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol has a molecular weight of 536.71 g/mol, XLogP of 8.59, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4,6,8-tris(4-hydroxyphenyl)-4,6,8-trimethylnon-2-en-2-yl]phenol is sourced from PubChem (CID 135254228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).