4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol

C36H34O2 — CID 169187760

IUPAC4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol
SMILESCC(C)(c1cccc(C(C)(C)c2ccc(O)c(-c3ccccc3)c2)c1)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C36H34O2/c1-35(2,29-18-20-33(37)31(23-29)25-12-7-5-8-13-25)27-16-11-17-28(22-27)36(3,4)30-19-21-34(38)32(24-30)26-14-9-6-10-15-26/h5-24,37-38H,1-4H3
InChIKeyFZRIKKFAFORHHZ-UHFFFAOYSA-N
MW498.67 g/mol
LogP9.08
Rot. Bonds6

About 4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol

4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol (PubChem CID 169187760) has the molecular formula C36H34O2 and a molecular weight of 498.67 g/mol. Its IUPAC name is 4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol.

Molecular Properties

Compound Name4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol
PubChem CID169187760
Molecular FormulaC36H34O2
Molecular Weight498.67 g/mol
Exact Mass498.26
IUPAC Name4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol
SMILESCC(C)(c1cccc(C(C)(C)c2ccc(O)c(-c3ccccc3)c2)c1)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C36H34O2/c1-35(2,29-18-20-33(37)31(23-29)25-12-7-5-8-13-25)27-16-11-17-28(22-27)36(3,4)30-19-21-34(38)32(24-30)26-14-9-6-10-15-26/h5-24,37-38H,1-4H3
InChIKeyFZRIKKFAFORHHZ-UHFFFAOYSA-N
XLogP9.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 59.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-hydroxyphenyl)propan-2-yl]-2-phenylphenol
CID 19824837
4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol
CID 23363497
4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 23033100
4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol
CID 21277070
4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol
CID 23363495
1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene
CID 59814152
4-[2-(4-hydroxy-3-phenylphenyl)-5,5-bis(4-hydroxy-3-propan-2-ylphenyl)hexan-2-yl]-2-phenylphenol
CID 135160125
2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 159896343
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582
2-phenyl-4-(2,4,4-trimethylpentan-2-yl)phenol;2H-triazole
CID 155126723
2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol
CID 14848714
2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol
CID 25029551

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol?
The IUPAC name of 4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol (CID 169187760) is 4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol.
What is the SMILES notation for 4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol?
The canonical SMILES for 4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol is CC(C)(c1cccc(C(C)(C)c2ccc(O)c(-c3ccccc3)c2)c1)c1ccc(O)c(-c2ccccc2)c1.
What is the InChIKey of 4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol?
The InChIKey is FZRIKKFAFORHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O2/c1-35(2,29-18-20-33(37)31(23-29)25-12-7-5-8-13-25)27-16-11-17-28(22-27)36(3,4)30-19-21-34(38)32(24-30)26-14-9-6-10-15-26/h5-24,37-38H,1-4H3.
What are the key properties of 4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol?
4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol has a molecular weight of 498.67 g/mol, XLogP of 9.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol is sourced from PubChem (CID 169187760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).