4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol

C36H34O2 — CID 67400035

IUPAC4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol
SMILESCC(Cc1ccccc1)(c1ccc(O)cc1)c1ccc(C(C)(Cc2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C36H34O2/c1-35(25-27-9-5-3-6-10-27,31-17-21-33(37)22-18-31)29-13-15-30(16-14-29)36(2,26-28-11-7-4-8-12-28)32-19-23-34(38)24-20-32/h3-24,37-38H,25-26H2,1-2H3
InChIKeyOJUXUJNDFICUOX-UHFFFAOYSA-N
MW498.67 g/mol
LogP8.20
Rot. Bonds8

About 4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol

4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol (PubChem CID 67400035) has the molecular formula C36H34O2 and a molecular weight of 498.67 g/mol. Its IUPAC name is 4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol
PubChem CID67400035
Molecular FormulaC36H34O2
Molecular Weight498.67 g/mol
Exact Mass498.26
IUPAC Name4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol
SMILESCC(Cc1ccccc1)(c1ccc(O)cc1)c1ccc(C(C)(Cc2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C36H34O2/c1-35(25-27-9-5-3-6-10-27,31-17-21-33(37)22-18-31)29-13-15-30(16-14-29)36(2,26-28-11-7-4-8-12-28)32-19-23-34(38)24-20-32/h3-24,37-38H,25-26H2,1-2H3
InChIKeyOJUXUJNDFICUOX-UHFFFAOYSA-N
XLogP8.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 58.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol
CID 139642251
4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
CID 59136544
4-[2-(4-hydroxyphenyl)-4-phenylbutan-2-yl]phenol
CID 14250443
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol
CID 150655549
tris[4-(1,2-diphenylpropan-2-yl)phenyl] phosphate
CID 139911356
[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate
CID 170110421
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
4-(2-phenyloctan-2-yl)phenol
CID 174541966
2,2-dimethylpropylbenzene;methanol
CID 157125736
4-(2-hydroxy-1-phenylundecan-2-yl)phenol
CID 175286085
1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
CID 101188647
bis(benzene-1,4-diol);benzylbenzene
CID 159915102

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol?
The IUPAC name of 4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol (CID 67400035) is 4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol is CC(Cc1ccccc1)(c1ccc(O)cc1)c1ccc(C(C)(Cc2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol?
The InChIKey is OJUXUJNDFICUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O2/c1-35(25-27-9-5-3-6-10-27,31-17-21-33(37)22-18-31)29-13-15-30(16-14-29)36(2,26-28-11-7-4-8-12-28)32-19-23-34(38)24-20-32/h3-24,37-38H,25-26H2,1-2H3.
What are the key properties of 4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol?
4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol has a molecular weight of 498.67 g/mol, XLogP of 8.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol is sourced from PubChem (CID 67400035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).