[[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium

C11H14O6P+ — CID 154463591

IUPAC[[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium
SMILESCCOC(=O)COc1cccc(C(O)[P+](=O)O)c1
InChIInChI=1S/C11H13O6P/c1-2-16-10(12)7-17-9-5-3-4-8(6-9)11(13)18(14)15/h3-6,11,13H,2,7H2,1H3/p+1
InChIKeySUROAKHPQUKYIH-UHFFFAOYSA-O
MW273.20 g/mol
LogP1.35
Rot. Bonds6

About [[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium

[[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium (PubChem CID 154463591) has the molecular formula C11H14O6P+ and a molecular weight of 273.20 g/mol. Its IUPAC name is [[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium
PubChem CID154463591
Molecular FormulaC11H14O6P+
Molecular Weight273.20 g/mol
Exact Mass273.05
IUPAC Name[[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium
SMILESCCOC(=O)COc1cccc(C(O)[P+](=O)O)c1
InChIInChI=1S/C11H13O6P/c1-2-16-10(12)7-17-9-5-3-4-8(6-9)11(13)18(14)15/h3-6,11,13H,2,7H2,1H3/p+1
InChIKeySUROAKHPQUKYIH-UHFFFAOYSA-O
XLogP1.35
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297
ethyl 2-[3-[1-(4-chlorophenyl)-3-oxobutan-2-yl]phenoxy]acetate
CID 59846848
ethyl 2-[3-(2-oxopropyl)phenoxy]acetate
CID 59846798
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
CID 60812030
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65236327
acetyl 3-(2-ethoxy-2-oxoethoxy)benzoate
CID 169229765
ethyl 2-[3-(furan-3-yl)phenoxy]acetate
CID 123534132
ethyl 5-(3-acetylphenoxy)-4-oxopentanoate
CID 103484965
ethyl 2-[3-(methanesulfonamido)phenoxy]acetate
CID 60749083
[(1S)-3-ethoxy-3-oxo-1-(3-phenylmethoxyphenyl)propyl]azanium
CID 7046970

Frequently Asked Questions

What is the IUPAC name of [[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium?
The IUPAC name of [[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium (CID 154463591) is [[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium?
The canonical SMILES for [[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium is CCOC(=O)COc1cccc(C(O)[P+](=O)O)c1.
What is the InChIKey of [[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium?
The InChIKey is SUROAKHPQUKYIH-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13O6P/c1-2-16-10(12)7-17-9-5-3-4-8(6-9)11(13)18(14)15/h3-6,11,13H,2,7H2,1H3/p+1.
What are the key properties of [[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium?
[[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium has a molecular weight of 273.20 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(2-ethoxy-2-oxoethoxy)phenyl]-hydroxymethyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 154463591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).