4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol

C19H33O4P — CID 58559829

IUPAC4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol
SMILESCCOP(=O)(Cc1cc(CC(C)C)c(O)c(CC(C)C)c1)OCC
InChIInChI=1S/C19H33O4P/c1-7-22-24(21,23-8-2)13-16-11-17(9-14(3)4)19(20)18(12-16)10-15(5)6/h11-12,14-15,20H,7-10,13H2,1-6H3
InChIKeyWELJUBZADYICQT-UHFFFAOYSA-N
MW356.44 g/mol
LogP5.56
Rot. Bonds10

About 4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol

4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol (PubChem CID 58559829) has the molecular formula C19H33O4P and a molecular weight of 356.44 g/mol. Its IUPAC name is 4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol.

Molecular Properties

Compound Name4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol
PubChem CID58559829
Molecular FormulaC19H33O4P
Molecular Weight356.44 g/mol
Exact Mass356.21
IUPAC Name4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol
SMILESCCOP(=O)(Cc1cc(CC(C)C)c(O)c(CC(C)C)c1)OCC
InChIInChI=1S/C19H33O4P/c1-7-22-24(21,23-8-2)13-16-11-17(9-14(3)4)19(20)18(12-16)10-15(5)6/h11-12,14-15,20H,7-10,13H2,1-6H3
InChIKeyWELJUBZADYICQT-UHFFFAOYSA-N
XLogP5.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.44
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride
CID 173169408
4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol
CID 57349790
1,3-bis(diethoxyphosphorylmethyl)-5-[[ethoxy(methyl)phosphoryl]methyl]benzene;propane
CID 142864650
(3,5-dibutyl-4-hydroxyphenyl)methyl-ethoxyphosphinic acid
CID 56611232
2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;(3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate;methane
CID 158091243
methyl 3-[3-ethyl-4-hydroxy-5-(2-methylpropyl)phenyl]propanoate
CID 160571031
2,6-bis(2-methylpropyl)-4-nonylphenol
CID 126622784
4-(diethoxyphosphorylmethyl)-2-[(4-ethoxyphenyl)methyl]phenol
CID 141142563
4-[[3,5-bis[[4-hydroxy-3,5-bis(2-methylpropyl)phenyl]methyl]-2,4,6-trimethylphenyl]methyl]-2,6-bis(2-methylpropyl)phenol
CID 118513751
1-(diethoxyphosphorylmethyl)-3,5-bis(3-methoxypropyl)benzene
CID 90738647
1,3-bis(diethoxyphosphorylmethyl)-5-nitrobenzene
CID 132525939
2-butyl-4-(dioctadecoxyphosphorylmethyl)-6-methylphenol
CID 21406058

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol?
The IUPAC name of 4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol (CID 58559829) is 4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol.
What is the SMILES notation for 4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol?
The canonical SMILES for 4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol is CCOP(=O)(Cc1cc(CC(C)C)c(O)c(CC(C)C)c1)OCC.
What is the InChIKey of 4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol?
The InChIKey is WELJUBZADYICQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33O4P/c1-7-22-24(21,23-8-2)13-16-11-17(9-14(3)4)19(20)18(12-16)10-15(5)6/h11-12,14-15,20H,7-10,13H2,1-6H3.
What are the key properties of 4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol?
4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol has a molecular weight of 356.44 g/mol, XLogP of 5.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol is sourced from PubChem (CID 58559829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).