(4-tert-butylphenoxy)-methylphosphinate

C11H16O3P- — CID 2313159

IUPAC(4-tert-butylphenoxy)-methylphosphinate
SMILESCC(C)(C)c1ccc(OP(C)(=O)[O-])cc1
InChIInChI=1S/C11H17O3P/c1-11(2,3)9-5-7-10(8-6-9)14-15(4,12)13/h5-8H,1-4H3,(H,12,13)/p-1
InChIKeyHPGUBDXCXYBTGF-UHFFFAOYSA-M
MW227.22 g/mol
LogP2.55
Rot. Bonds2

About (4-tert-butylphenoxy)-methylphosphinate

(4-tert-butylphenoxy)-methylphosphinate (PubChem CID 2313159) has the molecular formula C11H16O3P- and a molecular weight of 227.22 g/mol. Its IUPAC name is (4-tert-butylphenoxy)-methylphosphinate.

Molecular Properties

Compound Name(4-tert-butylphenoxy)-methylphosphinate
PubChem CID2313159
Molecular FormulaC11H16O3P-
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name(4-tert-butylphenoxy)-methylphosphinate
SMILESCC(C)(C)c1ccc(OP(C)(=O)[O-])cc1
InChIInChI=1S/C11H17O3P/c1-11(2,3)9-5-7-10(8-6-9)14-15(4,12)13/h5-8H,1-4H3,(H,12,13)/p-1
InChIKeyHPGUBDXCXYBTGF-UHFFFAOYSA-M
XLogP2.55
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-[chloro(methyl)phosphoryl]oxybenzene
CID 71670386
cobalt(2+);methyl(phenoxy)phosphinate
CID 140813109
sodium;bis(4-tert-butylphenyl) hydrogen phosphate;hydride
CID 174748805
(4-tert-butylphenyl) dichloro phosphate
CID 141025972
azanium (4-tert-butylphenyl) [4-(2-methylbutan-2-yl)phenyl] phosphate
CID 3020874
[4-(fluoromethyl)phenoxy]-methylphosphinate
CID 58798450
bis(4-tert-butylphenyl) naphthalen-2-yl phosphate
CID 139980260
[4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate
CID 123731391
bis(4-tert-butylphenyl) (2,4,6-tribromophenyl) phosphate
CID 70559508
1-[2-[4-[tert-butyl(methyl)phosphoryl]oxyphenyl]propan-2-yl]-4-[(2-methylpropan-2-yl)oxy]benzene
CID 69177598
bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane
CID 11327235
lithium;(4-tert-butylphenyl) hydrogen sulfate;hydride
CID 173469296

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenoxy)-methylphosphinate?
The IUPAC name of (4-tert-butylphenoxy)-methylphosphinate (CID 2313159) is (4-tert-butylphenoxy)-methylphosphinate.
What is the SMILES notation for (4-tert-butylphenoxy)-methylphosphinate?
The canonical SMILES for (4-tert-butylphenoxy)-methylphosphinate is CC(C)(C)c1ccc(OP(C)(=O)[O-])cc1.
What is the InChIKey of (4-tert-butylphenoxy)-methylphosphinate?
The InChIKey is HPGUBDXCXYBTGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H17O3P/c1-11(2,3)9-5-7-10(8-6-9)14-15(4,12)13/h5-8H,1-4H3,(H,12,13)/p-1.
What are the key properties of (4-tert-butylphenoxy)-methylphosphinate?
(4-tert-butylphenoxy)-methylphosphinate has a molecular weight of 227.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenoxy)-methylphosphinate is sourced from PubChem (CID 2313159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).