2,3,4,5-tetrabenzylphenol

C34H30O — CID 135379668

IUPAC2,3,4,5-tetrabenzylphenol
SMILESOc1cc(Cc2ccccc2)c(Cc2ccccc2)c(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C34H30O/c35-34-25-30(21-26-13-5-1-6-14-26)31(22-27-15-7-2-8-16-27)32(23-28-17-9-3-10-18-28)33(34)24-29-19-11-4-12-20-29/h1-20,25,35H,21-24H2
InChIKeyINQJMAKXTMWZLN-UHFFFAOYSA-N
MW454.61 g/mol
LogP7.76
Rot. Bonds8

About 2,3,4,5-tetrabenzylphenol

2,3,4,5-tetrabenzylphenol (PubChem CID 135379668) has the molecular formula C34H30O and a molecular weight of 454.61 g/mol. Its IUPAC name is 2,3,4,5-tetrabenzylphenol.

Molecular Properties

Compound Name2,3,4,5-tetrabenzylphenol
PubChem CID135379668
Molecular FormulaC34H30O
Molecular Weight454.61 g/mol
Exact Mass454.23
IUPAC Name2,3,4,5-tetrabenzylphenol
SMILESOc1cc(Cc2ccccc2)c(Cc2ccccc2)c(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C34H30O/c35-34-25-30(21-26-13-5-1-6-14-26)31(22-27-15-7-2-8-16-27)32(23-28-17-9-3-10-18-28)33(34)24-29-19-11-4-12-20-29/h1-20,25,35H,21-24H2
InChIKeyINQJMAKXTMWZLN-UHFFFAOYSA-N
XLogP7.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene
CID 173361594
2-(2,3,5-tribenzylphenyl)phenol
CID 101277696
4-benzyl-5-methylbenzene-1,2-diol
CID 146645349
lithium;2-benzylphenol;hydride
CID 174706000
2-benzylphenol;ethane
CID 91068983
3-(2,3,5,6-tetrabenzylphenyl)phenol
CID 101277718
5-benzyl-3,4-dimethylbenzene-1,2-diol
CID 163756803
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
2-benzyl-3-butyl-5-phenylphenol
CID 122215944
4-benzyl-5-butyl-3-methyl-2-phenylphenol
CID 10359307
sodium;3-benzyl-4-sulfanylphenol;hydride
CID 174668871
1,2,3,4,5-pentabenzyl-6-(2-benzylphenyl)benzene
CID 170735831

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrabenzylphenol?
The IUPAC name of 2,3,4,5-tetrabenzylphenol (CID 135379668) is 2,3,4,5-tetrabenzylphenol.
What is the SMILES notation for 2,3,4,5-tetrabenzylphenol?
The canonical SMILES for 2,3,4,5-tetrabenzylphenol is Oc1cc(Cc2ccccc2)c(Cc2ccccc2)c(Cc2ccccc2)c1Cc1ccccc1.
What is the InChIKey of 2,3,4,5-tetrabenzylphenol?
The InChIKey is INQJMAKXTMWZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O/c35-34-25-30(21-26-13-5-1-6-14-26)31(22-27-15-7-2-8-16-27)32(23-28-17-9-3-10-18-28)33(34)24-29-19-11-4-12-20-29/h1-20,25,35H,21-24H2.
What are the key properties of 2,3,4,5-tetrabenzylphenol?
2,3,4,5-tetrabenzylphenol has a molecular weight of 454.61 g/mol, XLogP of 7.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrabenzylphenol is sourced from PubChem (CID 135379668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).