[(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium

C17H28O3P+ — CID 169040458

IUPAC[(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium
SMILESCOC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[P+](C)=O
InChIInChI=1S/C17H27O3P/c1-16(2,3)12-9-11(15(20-7)21(8)19)10-13(14(12)18)17(4,5)6/h9-10,15H,1-8H3/p+1
InChIKeyWDESYIWLFIXSRH-UHFFFAOYSA-O
MW311.38 g/mol
LogP5.09
Rot. Bonds3

About [(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium

[(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium (PubChem CID 169040458) has the molecular formula C17H28O3P+ and a molecular weight of 311.38 g/mol. Its IUPAC name is [(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium.

Molecular Properties

Compound Name[(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium
PubChem CID169040458
Molecular FormulaC17H28O3P+
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name[(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium
SMILESCOC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[P+](C)=O
InChIInChI=1S/C17H27O3P/c1-16(2,3)12-9-11(15(20-7)21(8)19)10-13(14(12)18)17(4,5)6/h9-10,15H,1-8H3/p+1
InChIKeyWDESYIWLFIXSRH-UHFFFAOYSA-O
XLogP5.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.09
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

methyl (2R)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methoxyacetate
CID 1474473
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
2,6-ditert-butyl-4-methoxyphenol
CID 10269
(3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate
CID 5134279
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890
2,6-ditert-butyl-4-[[(3,5-ditert-butyl-4-hydroxyphenyl)-(4-methoxyphenyl)methyl]sulfanyl-(4-methoxyphenyl)methyl]phenol
CID 5141697
2-[2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)acetyl]oxyethyl 2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 87082508
methyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)but-3-enoate
CID 88850846
4-[(1R)-1-amino-3-fluoropropyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197822
4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197802
2,6-ditert-butyl-4-[(1R)-1,3-diaminopropyl]phenol;hydrochloride
CID 171197796
4-[(1S)-1-aminoprop-2-enyl]-2,6-ditert-butylphenol;hydrochloride
CID 171217313

Frequently Asked Questions

What is the IUPAC name of [(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium?
The IUPAC name of [(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium (CID 169040458) is [(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium.
What is the SMILES notation for [(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium?
The canonical SMILES for [(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium is COC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[P+](C)=O.
What is the InChIKey of [(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium?
The InChIKey is WDESYIWLFIXSRH-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H27O3P/c1-16(2,3)12-9-11(15(20-7)21(8)19)10-13(14(12)18)17(4,5)6/h9-10,15H,1-8H3/p+1.
What are the key properties of [(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium?
[(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium has a molecular weight of 311.38 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-ditert-butyl-4-hydroxyphenyl)-methoxymethyl]-methyl-oxophosphanium is sourced from PubChem (CID 169040458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).