4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol

C53H55O3P — CID 153401435

IUPAC4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol
SMILESCc1cc(Cc2cc(C)c(O)c(C)c2)c(OP(Cc2ccccc2)(Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)c(Cc2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C53H55O3P/c1-38-26-49(32-47-28-39(2)51(54)40(3)29-47)53(50(27-38)33-48-30-41(4)52(55)42(5)31-48)56-57(34-43-18-10-6-11-19-43,35-44-20-12-7-13-21-44,36-45-22-14-8-15-23-45)37-46-24-16-9-17-25-46/h6-31,54-55H,32-37H2,1-5H3
InChIKeyDYVNEFLMPLDJQY-UHFFFAOYSA-N
MW770.99 g/mol
LogP13.47
Rot. Bonds14

About 4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol

4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol (PubChem CID 153401435) has the molecular formula C53H55O3P and a molecular weight of 770.99 g/mol. Its IUPAC name is 4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol
PubChem CID153401435
Molecular FormulaC53H55O3P
Molecular Weight770.99 g/mol
Exact Mass770.39
IUPAC Name4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol
SMILESCc1cc(Cc2cc(C)c(O)c(C)c2)c(OP(Cc2ccccc2)(Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)c(Cc2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C53H55O3P/c1-38-26-49(32-47-28-39(2)51(54)40(3)29-47)53(50(27-38)33-48-30-41(4)52(55)42(5)31-48)56-57(34-43-18-10-6-11-19-43,35-44-20-12-7-13-21-44,36-45-22-14-8-15-23-45)37-46-24-16-9-17-25-46/h6-31,54-55H,32-37H2,1-5H3
InChIKeyDYVNEFLMPLDJQY-UHFFFAOYSA-N
XLogP13.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.99
LogP ≤ 513.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol (CID 153401435) is 4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol is Cc1cc(Cc2cc(C)c(O)c(C)c2)c(OP(Cc2ccccc2)(Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)c(Cc2cc(C)c(O)c(C)c2)c1.
What is the InChIKey of 4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol?
The InChIKey is DYVNEFLMPLDJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H55O3P/c1-38-26-49(32-47-28-39(2)51(54)40(3)29-47)53(50(27-38)33-48-30-41(4)52(55)42(5)31-48)56-57(34-43-18-10-6-11-19-43,35-44-20-12-7-13-21-44,36-45-22-14-8-15-23-45)37-46-24-16-9-17-25-46/h6-31,54-55H,32-37H2,1-5H3.
What are the key properties of 4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol?
4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol has a molecular weight of 770.99 g/mol, XLogP of 13.47, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 153401435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).