4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol

C33H28O2 — CID 21277070

IUPAC4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol
SMILESCc1ccccc1C(C)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C33H28O2/c1-23-11-9-10-16-30(23)33(2,26-17-19-31(34)28(21-26)24-12-5-3-6-13-24)27-18-20-32(35)29(22-27)25-14-7-4-8-15-25/h3-22,34-35H,1-2H3
InChIKeyKJZHGBYPNDUVMW-UHFFFAOYSA-N
MW456.59 g/mol
LogP8.09
Rot. Bonds5

About 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol

4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol (PubChem CID 21277070) has the molecular formula C33H28O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol
PubChem CID21277070
Molecular FormulaC33H28O2
Molecular Weight456.59 g/mol
Exact Mass456.21
IUPAC Name4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol
SMILESCc1ccccc1C(C)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1
InChIInChI=1S/C33H28O2/c1-23-11-9-10-16-30(23)33(2,26-17-19-31(34)28(21-26)24-12-5-3-6-13-24)27-18-20-32(35)29(22-27)25-14-7-4-8-15-25/h3-22,34-35H,1-2H3
InChIKeyKJZHGBYPNDUVMW-UHFFFAOYSA-N
XLogP8.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol (CID 21277070) is 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol is Cc1ccccc1C(C)(c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1.
What is the InChIKey of 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol?
The InChIKey is KJZHGBYPNDUVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28O2/c1-23-11-9-10-16-30(23)33(2,26-17-19-31(34)28(21-26)24-12-5-3-6-13-24)27-18-20-32(35)29(22-27)25-14-7-4-8-15-25/h3-22,34-35H,1-2H3.
What are the key properties of 4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol?
4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol has a molecular weight of 456.59 g/mol, XLogP of 8.09, 5 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-phenylphenyl)-1-(2-methylphenyl)ethyl]-2-phenylphenol is sourced from PubChem (CID 21277070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).