2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol

C18H31O3P — CID 171526978

IUPAC2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol
SMILESCCOP(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC
InChIInChI=1S/C18H31O3P/c1-9-21-22(20-8)12-13-10-14(17(2,3)4)16(19)15(11-13)18(5,6)7/h10-11,19H,9,12H2,1-8H3
InChIKeyTXTFNMXMIQIOMA-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.48
Rot. Bonds5

About 2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol

2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol (PubChem CID 171526978) has the molecular formula C18H31O3P and a molecular weight of 326.42 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol
PubChem CID171526978
Molecular FormulaC18H31O3P
Molecular Weight326.42 g/mol
Exact Mass326.20
IUPAC Name2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol
SMILESCCOP(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC
InChIInChI=1S/C18H31O3P/c1-9-21-22(20-8)12-13-10-14(17(2,3)4)16(19)15(11-13)18(5,6)7/h10-11,19H,9,12H2,1-8H3
InChIKeyTXTFNMXMIQIOMA-UHFFFAOYSA-N
XLogP5.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid
CID 159405265
4-butyl-2,6-ditert-butylphenol
CID 158079570
calcium;bis(ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methanesulfonate);hydride
CID 173029599
bis(3-tert-butyl-4-hydroxy-5-methylphenyl) ethyl phosphite
CID 59005147
2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042
(3,5-dimethoxyphenyl)methyl-diethoxyphosphane
CID 71222353
2,6-ditert-butyl-4-propylphenol;methyl formate
CID 145003703
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
2,6-ditert-butyl-4-methoxyphenol
CID 10269
(3,5-ditert-butyl-4-hydroxyphenyl)methoxy-ethoxy-oxophosphanium;nickel
CID 158653418
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane
CID 175291494
[1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylbutan-2-yl] acetate
CID 143820968

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol (CID 171526978) is 2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol is CCOP(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC.
What is the InChIKey of 2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol?
The InChIKey is TXTFNMXMIQIOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31O3P/c1-9-21-22(20-8)12-13-10-14(17(2,3)4)16(19)15(11-13)18(5,6)7/h10-11,19H,9,12H2,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol?
2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol has a molecular weight of 326.42 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[[ethoxy(methoxy)phosphanyl]methyl]phenol is sourced from PubChem (CID 171526978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).