ethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid

C13H21O4P — CID 141142647

IUPACethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid
SMILESCCOP(=O)(O)C(c1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C13H21O4P/c1-5-17-18(15,16)12(13(2,3)4)10-6-8-11(14)9-7-10/h6-9,12,14H,5H2,1-4H3,(H,15,16)
InChIKeyFGZKXFGWUPTDLS-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.70
Rot. Bonds4

About ethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid

ethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid (PubChem CID 141142647) has the molecular formula C13H21O4P and a molecular weight of 272.28 g/mol. Its IUPAC name is ethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid
PubChem CID141142647
Molecular FormulaC13H21O4P
Molecular Weight272.28 g/mol
Exact Mass272.12
IUPAC Nameethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid
SMILESCCOP(=O)(O)C(c1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C13H21O4P/c1-5-17-18(15,16)12(13(2,3)4)10-6-8-11(14)9-7-10/h6-9,12,14H,5H2,1-4H3,(H,15,16)
InChIKeyFGZKXFGWUPTDLS-UHFFFAOYSA-N
XLogP3.70
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid
CID 102300014
[bromo(phenyl)methyl]-ethoxyphosphinic acid
CID 88730556
(2-tert-butyl-3,3-dimethylbutyl) ethyl (4-hydroxyphenyl)methyl phosphate
CID 174633953
ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid
CID 87175840
ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid
CID 11042650
[bromo-(3,4-dimethoxyphenyl)methyl]-ethoxyphosphinic acid
CID 88731355
ethyl bis(4-hydroxyphenyl) phosphate
CID 137357860
[2-tert-butyl-2-[(4-hydroxyphenyl)methyl]-3,3-dimethylbutyl] ethyl hydrogen phosphate
CID 151528019
2-ethoxy-2-(4-hydroxyphenyl)acetic acid
CID 70349017
4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol
CID 15597034
[4-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl] dihydrogen phosphate
CID 22234939
benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
CID 21247290

Frequently Asked Questions

What is the IUPAC name of ethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid?
The IUPAC name of ethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid (CID 141142647) is ethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid.
What is the SMILES notation for ethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid?
The canonical SMILES for ethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid is CCOP(=O)(O)C(c1ccc(O)cc1)C(C)(C)C.
What is the InChIKey of ethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid?
The InChIKey is FGZKXFGWUPTDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O4P/c1-5-17-18(15,16)12(13(2,3)4)10-6-8-11(14)9-7-10/h6-9,12,14H,5H2,1-4H3,(H,15,16).
What are the key properties of ethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid?
ethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid has a molecular weight of 272.28 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phosphinic acid is sourced from PubChem (CID 141142647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).