4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol

C38H30O2 — CID 139825093

IUPAC4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol
SMILESCC(c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C38H30O2/c1-26(31-22-33(27-14-6-2-7-15-27)37(39)34(23-31)28-16-8-3-9-17-28)32-24-35(29-18-10-4-11-19-29)38(40)36(25-32)30-20-12-5-13-21-30/h2-26,39-40H,1H3
InChIKeyQCYTUXYQNUOCBQ-UHFFFAOYSA-N
MW518.66 g/mol
LogP9.92
Rot. Bonds6

About 4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol

4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol (PubChem CID 139825093) has the molecular formula C38H30O2 and a molecular weight of 518.66 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol
PubChem CID139825093
Molecular FormulaC38H30O2
Molecular Weight518.66 g/mol
Exact Mass518.22
IUPAC Name4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol
SMILESCC(c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C38H30O2/c1-26(31-22-33(27-14-6-2-7-15-27)37(39)34(23-31)28-16-8-3-9-17-28)32-24-35(29-18-10-4-11-19-29)38(40)36(25-32)30-20-12-5-13-21-30/h2-26,39-40H,1H3
InChIKeyQCYTUXYQNUOCBQ-UHFFFAOYSA-N
XLogP9.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 59.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-diphenyl-4-propan-2-ylphenol
CID 155045328
4-[1-(4-hydroxy-3-phenylphenyl)ethyl]-2-phenylphenol
CID 22492717
4-[1-(4-hydroxy-3,5-diphenylphenyl)octyl]-2,6-diphenylphenol
CID 139825043
4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol
CID 139962444
4-bromo-2,6-diphenylphenol
CID 11147454
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
2-[3-[1-(2-methoxyphenyl)ethyl]phenyl]-6-phenylphenol
CID 58238588
2,3-diethyl-5-phenylbenzene-1,4-diol
CID 23109186
2-(2-methylsulfanylphenyl)-6-phenylphenol
CID 142823591
4-[(dimethylamino)methyl]-2,6-diphenylphenol
CID 15625757
4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol
CID 71369615
4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol
CID 140882520

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol (CID 139825093) is 4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol is CC(c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.
What is the InChIKey of 4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol?
The InChIKey is QCYTUXYQNUOCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30O2/c1-26(31-22-33(27-14-6-2-7-15-27)37(39)34(23-31)28-16-8-3-9-17-28)32-24-35(29-18-10-4-11-19-29)38(40)36(25-32)30-20-12-5-13-21-30/h2-26,39-40H,1H3.
What are the key properties of 4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol?
4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol has a molecular weight of 518.66 g/mol, XLogP of 9.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol is sourced from PubChem (CID 139825093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).