3,5-bis(diphenylphosphanylmethyl)-2,4,6-triethylphenol

C38H40OP2 — CID 170562858

IUPAC3,5-bis(diphenylphosphanylmethyl)-2,4,6-triethylphenol
SMILESCCc1c(O)c(CC)c(CP(c2ccccc2)c2ccccc2)c(CC)c1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H40OP2/c1-4-33-36(27-40(29-19-11-7-12-20-29)30-21-13-8-14-22-30)34(5-2)38(39)35(6-3)37(33)28-41(31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-26,39H,4-6,27-28H2,1-3H3
InChIKeyCINQLZBWOLMSPL-UHFFFAOYSA-N
MW574.69 g/mol
LogP8.35
Rot. Bonds11

About 3,5-bis(diphenylphosphanylmethyl)-2,4,6-triethylphenol

3,5-bis(diphenylphosphanylmethyl)-2,4,6-triethylphenol (PubChem CID 170562858) has the molecular formula C38H40OP2 and a molecular weight of 574.69 g/mol. Its IUPAC name is 3,5-bis(diphenylphosphanylmethyl)-2,4,6-triethylphenol.

Molecular Properties

Compound Name3,5-bis(diphenylphosphanylmethyl)-2,4,6-triethylphenol
PubChem CID170562858
Molecular FormulaC38H40OP2
Molecular Weight574.69 g/mol
Exact Mass574.26
IUPAC Name3,5-bis(diphenylphosphanylmethyl)-2,4,6-triethylphenol
SMILESCCc1c(O)c(CC)c(CP(c2ccccc2)c2ccccc2)c(CC)c1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H40OP2/c1-4-33-36(27-40(29-19-11-7-12-20-29)30-21-13-8-14-22-30)34(5-2)38(39)35(6-3)37(33)28-41(31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-26,39H,4-6,27-28H2,1-3H3
InChIKeyCINQLZBWOLMSPL-UHFFFAOYSA-N
XLogP8.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethylphenyl)methyl-diphenylphosphane
CID 130461808
ethyl(diphenyl)phosphane;methyl(diphenyl)phosphane
CID 158097838
5,11,17,23-tetrakis(diphenylphosphanylmethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 101359024
[1-[2-(diphenylphosphanylmethyl)-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-yl]methyl-diphenylphosphane;tetrakis(2-ethyl-1-(2-ethyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalene)
CID 162119112
3,4,5-triethyl-6-(2-hydroxyphenyl)benzene-1,2-diol
CID 101303418
dimethylsilylmethyl(diphenyl)phosphane
CID 71413645
ethyl(diphenyl)phosphane;trichlororuthenium
CID 159343437
1-diphenylphosphanylpentan-2-yl(diphenyl)phosphane
CID 20520952
2,3-diethyl-5-phenylbenzene-1,4-diol
CID 23109186
(2S)-3-diphenylphosphanyl-2-methylpropan-1-ol
CID 101090022
[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane
CID 22052782
ethyl-phenyl-(4-phenylphenyl)phosphane
CID 21301209

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(diphenylphosphanylmethyl)-2,4,6-triethylphenol?
The IUPAC name of 3,5-bis(diphenylphosphanylmethyl)-2,4,6-triethylphenol (CID 170562858) is 3,5-bis(diphenylphosphanylmethyl)-2,4,6-triethylphenol.
What is the SMILES notation for 3,5-bis(diphenylphosphanylmethyl)-2,4,6-triethylphenol?
The canonical SMILES for 3,5-bis(diphenylphosphanylmethyl)-2,4,6-triethylphenol is CCc1c(O)c(CC)c(CP(c2ccccc2)c2ccccc2)c(CC)c1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,5-bis(diphenylphosphanylmethyl)-2,4,6-triethylphenol?
The InChIKey is CINQLZBWOLMSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40OP2/c1-4-33-36(27-40(29-19-11-7-12-20-29)30-21-13-8-14-22-30)34(5-2)38(39)35(6-3)37(33)28-41(31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-26,39H,4-6,27-28H2,1-3H3.
What are the key properties of 3,5-bis(diphenylphosphanylmethyl)-2,4,6-triethylphenol?
3,5-bis(diphenylphosphanylmethyl)-2,4,6-triethylphenol has a molecular weight of 574.69 g/mol, XLogP of 8.35, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(diphenylphosphanylmethyl)-2,4,6-triethylphenol is sourced from PubChem (CID 170562858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).