2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol

C29H28O2 — CID 20743757

IUPAC2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
SMILESCc1cc(Cc2ccccc2)c(O)c(Cc2cc(C)c(O)c(Cc3ccccc3)c2)c1
InChIInChI=1S/C29H28O2/c1-20-13-25(16-22-9-5-3-6-10-22)29(31)26(14-20)18-24-15-21(2)28(30)27(19-24)17-23-11-7-4-8-12-23/h3-15,19,30-31H,16-18H2,1-2H3
InChIKeyHGOASIMJYFLWKJ-UHFFFAOYSA-N
MW408.54 g/mol
LogP6.49
Rot. Bonds6

About 2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol

2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol (PubChem CID 20743757) has the molecular formula C29H28O2 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
PubChem CID20743757
Molecular FormulaC29H28O2
Molecular Weight408.54 g/mol
Exact Mass408.21
IUPAC Name2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
SMILESCc1cc(Cc2ccccc2)c(O)c(Cc2cc(C)c(O)c(Cc3ccccc3)c2)c1
InChIInChI=1S/C29H28O2/c1-20-13-25(16-22-9-5-3-6-10-22)29(31)26(14-20)18-24-15-21(2)28(30)27(19-24)17-23-11-7-4-8-12-23/h3-15,19,30-31H,16-18H2,1-2H3
InChIKeyHGOASIMJYFLWKJ-UHFFFAOYSA-N
XLogP6.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 134464799
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731
2-ethyl-6-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylphenol
CID 22011679
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 20750468
carbanide;2-[[5-[[5-[[5-[[3-[(5-ethyl-2-hydroxy-3-methylphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-2-hydroxy-3-methylphenyl]methyl]-4,6-dimethylphenol;bis(titanium(2+))
CID 59071786
4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol
CID 153401435
2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol
CID 144564644
4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 22278094
4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 15965769
2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 22925864
4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol
CID 22925753

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol?
The IUPAC name of 2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol (CID 20743757) is 2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol.
What is the SMILES notation for 2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol?
The canonical SMILES for 2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol is Cc1cc(Cc2ccccc2)c(O)c(Cc2cc(C)c(O)c(Cc3ccccc3)c2)c1.
What is the InChIKey of 2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol?
The InChIKey is HGOASIMJYFLWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O2/c1-20-13-25(16-22-9-5-3-6-10-22)29(31)26(14-20)18-24-15-21(2)28(30)27(19-24)17-23-11-7-4-8-12-23/h3-15,19,30-31H,16-18H2,1-2H3.
What are the key properties of 2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol?
2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol has a molecular weight of 408.54 g/mol, XLogP of 6.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol is sourced from PubChem (CID 20743757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).