2-(2,3,5-tribenzylphenyl)phenol

C33H28O — CID 101277696

IUPAC2-(2,3,5-tribenzylphenyl)phenol
SMILESOc1ccccc1-c1cc(Cc2ccccc2)cc(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C33H28O/c34-33-19-11-10-18-30(33)32-24-28(20-25-12-4-1-5-13-25)22-29(21-26-14-6-2-7-15-26)31(32)23-27-16-8-3-9-17-27/h1-19,22,24,34H,20-21,23H2
InChIKeySIXUGRZYCSKPNG-UHFFFAOYSA-N
MW440.59 g/mol
LogP7.83
Rot. Bonds7

About 2-(2,3,5-tribenzylphenyl)phenol

2-(2,3,5-tribenzylphenyl)phenol (PubChem CID 101277696) has the molecular formula C33H28O and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-(2,3,5-tribenzylphenyl)phenol.

Molecular Properties

Compound Name2-(2,3,5-tribenzylphenyl)phenol
PubChem CID101277696
Molecular FormulaC33H28O
Molecular Weight440.59 g/mol
Exact Mass440.21
IUPAC Name2-(2,3,5-tribenzylphenyl)phenol
SMILESOc1ccccc1-c1cc(Cc2ccccc2)cc(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C33H28O/c34-33-19-11-10-18-30(33)32-24-28(20-25-12-4-1-5-13-25)22-29(21-26-14-6-2-7-15-26)31(32)23-27-16-8-3-9-17-27/h1-19,22,24,34H,20-21,23H2
InChIKeySIXUGRZYCSKPNG-UHFFFAOYSA-N
XLogP7.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-tribenzylphenyl)phenol?
The IUPAC name of 2-(2,3,5-tribenzylphenyl)phenol (CID 101277696) is 2-(2,3,5-tribenzylphenyl)phenol.
What is the SMILES notation for 2-(2,3,5-tribenzylphenyl)phenol?
The canonical SMILES for 2-(2,3,5-tribenzylphenyl)phenol is Oc1ccccc1-c1cc(Cc2ccccc2)cc(Cc2ccccc2)c1Cc1ccccc1.
What is the InChIKey of 2-(2,3,5-tribenzylphenyl)phenol?
The InChIKey is SIXUGRZYCSKPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28O/c34-33-19-11-10-18-30(33)32-24-28(20-25-12-4-1-5-13-25)22-29(21-26-14-6-2-7-15-26)31(32)23-27-16-8-3-9-17-27/h1-19,22,24,34H,20-21,23H2.
What are the key properties of 2-(2,3,5-tribenzylphenyl)phenol?
2-(2,3,5-tribenzylphenyl)phenol has a molecular weight of 440.59 g/mol, XLogP of 7.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-tribenzylphenyl)phenol is sourced from PubChem (CID 101277696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).