2-[[3-[(2-hydroxy-5-methylphenyl)methyl]-5-methyl-2-[tribenzyl(phenyl)-λ5-phosphanyl]oxyphenyl]methyl]-4-methylphenol

C50H49O3P — CID 153401630

IUPAC2-[[3-[(2-hydroxy-5-methylphenyl)methyl]-5-methyl-2-[tribenzyl(phenyl)-λ5-phosphanyl]oxyphenyl]methyl]-4-methylphenol
SMILESCc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2OP(Cc2ccccc2)(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C50H49O3P/c1-37-24-26-48(51)43(28-37)32-45-30-39(3)31-46(33-44-29-38(2)25-27-49(44)52)50(45)53-54(47-22-14-7-15-23-47,34-40-16-8-4-9-17-40,35-41-18-10-5-11-19-41)36-42-20-12-6-13-21-42/h4-31,51-52H,32-36H2,1-3H3
InChIKeyICTDMIPAHZGUBT-UHFFFAOYSA-N
MW728.91 g/mol
LogP11.98
Rot. Bonds13

About 2-[[3-[(2-hydroxy-5-methylphenyl)methyl]-5-methyl-2-[tribenzyl(phenyl)-λ5-phosphanyl]oxyphenyl]methyl]-4-methylphenol

2-[[3-[(2-hydroxy-5-methylphenyl)methyl]-5-methyl-2-[tribenzyl(phenyl)-λ5-phosphanyl]oxyphenyl]methyl]-4-methylphenol (PubChem CID 153401630) has the molecular formula C50H49O3P and a molecular weight of 728.91 g/mol. Its IUPAC name is 2-[[3-[(2-hydroxy-5-methylphenyl)methyl]-5-methyl-2-[tribenzyl(phenyl)-λ5-phosphanyl]oxyphenyl]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[3-[(2-hydroxy-5-methylphenyl)methyl]-5-methyl-2-[tribenzyl(phenyl)-λ5-phosphanyl]oxyphenyl]methyl]-4-methylphenol
PubChem CID153401630
Molecular FormulaC50H49O3P
Molecular Weight728.91 g/mol
Exact Mass728.34
IUPAC Name2-[[3-[(2-hydroxy-5-methylphenyl)methyl]-5-methyl-2-[tribenzyl(phenyl)-λ5-phosphanyl]oxyphenyl]methyl]-4-methylphenol
SMILESCc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2OP(Cc2ccccc2)(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C50H49O3P/c1-37-24-26-48(51)43(28-37)32-45-30-39(3)31-46(33-44-29-38(2)25-27-49(44)52)50(45)53-54(47-22-14-7-15-23-47,34-40-16-8-4-9-17-40,35-41-18-10-5-11-19-41)36-42-20-12-6-13-21-42/h4-31,51-52H,32-36H2,1-3H3
InChIKeyICTDMIPAHZGUBT-UHFFFAOYSA-N
XLogP11.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.91
LogP ≤ 511.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-2-(tetrabenzyl-λ5-phosphanyl)oxyphenyl]methyl]-2,6-dimethylphenol
CID 153401435
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850
4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol
CID 21015145
4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 18949647
4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 70116122
4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 150105326
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
4-[[4-chloro-2-[[5-chloro-3-[(5-chloro-2-methoxyphenyl)methyl]-2-methoxyphenyl]methyl]phenoxy]methyl]-2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol
CID 131976744
4-methyl-2-[(3,4,5-trimethylphenyl)methyl]phenol
CID 90160310
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
2-(2-benzyl-4-methylphenoxy)ethanol
CID 156845812

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-hydroxy-5-methylphenyl)methyl]-5-methyl-2-[tribenzyl(phenyl)-λ5-phosphanyl]oxyphenyl]methyl]-4-methylphenol?
The IUPAC name of 2-[[3-[(2-hydroxy-5-methylphenyl)methyl]-5-methyl-2-[tribenzyl(phenyl)-λ5-phosphanyl]oxyphenyl]methyl]-4-methylphenol (CID 153401630) is 2-[[3-[(2-hydroxy-5-methylphenyl)methyl]-5-methyl-2-[tribenzyl(phenyl)-λ5-phosphanyl]oxyphenyl]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[3-[(2-hydroxy-5-methylphenyl)methyl]-5-methyl-2-[tribenzyl(phenyl)-λ5-phosphanyl]oxyphenyl]methyl]-4-methylphenol?
The canonical SMILES for 2-[[3-[(2-hydroxy-5-methylphenyl)methyl]-5-methyl-2-[tribenzyl(phenyl)-λ5-phosphanyl]oxyphenyl]methyl]-4-methylphenol is Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2OP(Cc2ccccc2)(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[[3-[(2-hydroxy-5-methylphenyl)methyl]-5-methyl-2-[tribenzyl(phenyl)-λ5-phosphanyl]oxyphenyl]methyl]-4-methylphenol?
The InChIKey is ICTDMIPAHZGUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49O3P/c1-37-24-26-48(51)43(28-37)32-45-30-39(3)31-46(33-44-29-38(2)25-27-49(44)52)50(45)53-54(47-22-14-7-15-23-47,34-40-16-8-4-9-17-40,35-41-18-10-5-11-19-41)36-42-20-12-6-13-21-42/h4-31,51-52H,32-36H2,1-3H3.
What are the key properties of 2-[[3-[(2-hydroxy-5-methylphenyl)methyl]-5-methyl-2-[tribenzyl(phenyl)-λ5-phosphanyl]oxyphenyl]methyl]-4-methylphenol?
2-[[3-[(2-hydroxy-5-methylphenyl)methyl]-5-methyl-2-[tribenzyl(phenyl)-λ5-phosphanyl]oxyphenyl]methyl]-4-methylphenol has a molecular weight of 728.91 g/mol, XLogP of 11.98, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-hydroxy-5-methylphenyl)methyl]-5-methyl-2-[tribenzyl(phenyl)-λ5-phosphanyl]oxyphenyl]methyl]-4-methylphenol is sourced from PubChem (CID 153401630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).