5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol

C34H30O3 — CID 54444447

IUPAC5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol
SMILESOc1cccc(Cc2cccc(Cc3ccc(Cc4cccc(Cc5ccccc5O)c4)cc3O)c2)c1
InChIInChI=1S/C34H30O3/c35-32-12-5-10-28(22-32)18-24-6-3-9-27(16-24)21-31-15-14-29(23-34(31)37)19-25-7-4-8-26(17-25)20-30-11-1-2-13-33(30)36/h1-17,22-23,35-37H,18-21H2
InChIKeyWQMXWMYVUQPOAG-UHFFFAOYSA-N
MW486.61 g/mol
LogP7.17
Rot. Bonds8

About 5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol

5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol (PubChem CID 54444447) has the molecular formula C34H30O3 and a molecular weight of 486.61 g/mol. Its IUPAC name is 5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol.

Molecular Properties

Compound Name5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol
PubChem CID54444447
Molecular FormulaC34H30O3
Molecular Weight486.61 g/mol
Exact Mass486.22
IUPAC Name5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol
SMILESOc1cccc(Cc2cccc(Cc3ccc(Cc4cccc(Cc5ccccc5O)c4)cc3O)c2)c1
InChIInChI=1S/C34H30O3/c35-32-12-5-10-28(22-32)18-24-6-3-9-27(16-24)21-31-15-14-29(23-34(31)37)19-25-7-4-8-26(17-25)20-30-11-1-2-13-33(30)36/h1-17,22-23,35-37H,18-21H2
InChIKeyWQMXWMYVUQPOAG-UHFFFAOYSA-N
XLogP7.17
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 57.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-hydroxyphenyl)methyl]benzene-1,2,3-triol
CID 139940610
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581
[2-[(3-hydroxyphenyl)methyl]phenyl]methyl-dimethylazanium
CID 6947779
3-[(2-trimethylsilylphenyl)methyl]phenol
CID 171716638
lithium;2-benzylphenol;hydride
CID 174706000
2-benzylphenol;ethane
CID 91068983
3-[(4-propylphenyl)methyl]phenol
CID 67607655
4-[(4-fluorophenyl)methyl]benzene-1,3-diol
CID 164899043
2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol
CID 86005366
2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol
CID 132570116
[2-[[2-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methanol
CID 10317524
2-benzyl-5-pentadecylphenol
CID 10938093

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol?
The IUPAC name of 5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol (CID 54444447) is 5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol.
What is the SMILES notation for 5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol?
The canonical SMILES for 5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol is Oc1cccc(Cc2cccc(Cc3ccc(Cc4cccc(Cc5ccccc5O)c4)cc3O)c2)c1.
What is the InChIKey of 5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol?
The InChIKey is WQMXWMYVUQPOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O3/c35-32-12-5-10-28(22-32)18-24-6-3-9-27(16-24)21-31-15-14-29(23-34(31)37)19-25-7-4-8-26(17-25)20-30-11-1-2-13-33(30)36/h1-17,22-23,35-37H,18-21H2.
What are the key properties of 5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol?
5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol has a molecular weight of 486.61 g/mol, XLogP of 7.17, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-2-[[3-[(3-hydroxyphenyl)methyl]phenyl]methyl]phenol is sourced from PubChem (CID 54444447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).