ethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid

C11H18NO5P — CID 142968601

IUPACethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid
SMILESCCOP(=O)(O)COc1ccc(C(C)NO)cc1
InChIInChI=1S/C11H18NO5P/c1-3-17-18(14,15)8-16-11-6-4-10(5-7-11)9(2)12-13/h4-7,9,12-13H,3,8H2,1-2H3,(H,14,15)
InChIKeyMMGGCLSOMCJLIF-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.28
Rot. Bonds7

About ethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid

ethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid (PubChem CID 142968601) has the molecular formula C11H18NO5P and a molecular weight of 275.24 g/mol. Its IUPAC name is ethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid
PubChem CID142968601
Molecular FormulaC11H18NO5P
Molecular Weight275.24 g/mol
Exact Mass275.09
IUPAC Nameethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid
SMILESCCOP(=O)(O)COc1ccc(C(C)NO)cc1
InChIInChI=1S/C11H18NO5P/c1-3-17-18(14,15)8-16-11-6-4-10(5-7-11)9(2)12-13/h4-7,9,12-13H,3,8H2,1-2H3,(H,14,15)
InChIKeyMMGGCLSOMCJLIF-UHFFFAOYSA-N
XLogP2.28
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(diethoxyphosphorylmethoxy)phenyl]ethanol
CID 59810700
N-[1-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]-N-[hydroxy(methyl)boranyl]oxy-methylboronamidic acid
CID 59809918
2-(4-acetylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295837
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide
CID 95157068
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
2-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 43402762
ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid
CID 87671559
[4-(diethoxyphosphorylmethoxy)phenyl]methanol
CID 23257899
N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 43734730
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 112732846
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863

Frequently Asked Questions

What is the IUPAC name of ethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid?
The IUPAC name of ethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid (CID 142968601) is ethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid.
What is the SMILES notation for ethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid?
The canonical SMILES for ethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid is CCOP(=O)(O)COc1ccc(C(C)NO)cc1.
What is the InChIKey of ethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid?
The InChIKey is MMGGCLSOMCJLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO5P/c1-3-17-18(14,15)8-16-11-6-4-10(5-7-11)9(2)12-13/h4-7,9,12-13H,3,8H2,1-2H3,(H,14,15).
What are the key properties of ethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid?
ethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid has a molecular weight of 275.24 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[[4-[1-(hydroxyamino)ethyl]phenoxy]methyl]phosphinic acid is sourced from PubChem (CID 142968601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).