2-(4-dimethoxyphosphoryloxyphenoxy)propanoate

C11H14O7P- — CID 57363896

IUPAC2-(4-dimethoxyphosphoryloxyphenoxy)propanoate
SMILESCOP(=O)(OC)Oc1ccc(OC(C)C(=O)[O-])cc1
InChIInChI=1S/C11H15O7P/c1-8(11(12)13)17-9-4-6-10(7-5-9)18-19(14,15-2)16-3/h4-8H,1-3H3,(H,12,13)/p-1
InChIKeyKYYHJWRAONPYDT-UHFFFAOYSA-M
MW289.20 g/mol
LogP0.98
Rot. Bonds7

About 2-(4-dimethoxyphosphoryloxyphenoxy)propanoate

2-(4-dimethoxyphosphoryloxyphenoxy)propanoate (PubChem CID 57363896) has the molecular formula C11H14O7P- and a molecular weight of 289.20 g/mol. Its IUPAC name is 2-(4-dimethoxyphosphoryloxyphenoxy)propanoate.

Molecular Properties

Compound Name2-(4-dimethoxyphosphoryloxyphenoxy)propanoate
PubChem CID57363896
Molecular FormulaC11H14O7P-
Molecular Weight289.20 g/mol
Exact Mass289.05
IUPAC Name2-(4-dimethoxyphosphoryloxyphenoxy)propanoate
SMILESCOP(=O)(OC)Oc1ccc(OC(C)C(=O)[O-])cc1
InChIInChI=1S/C11H15O7P/c1-8(11(12)13)17-9-4-6-10(7-5-9)18-19(14,15-2)16-3/h4-8H,1-3H3,(H,12,13)/p-1
InChIKeyKYYHJWRAONPYDT-UHFFFAOYSA-M
XLogP0.98
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-methylphenoxy)propanoate
CID 6988515
2-(4-chlorophenoxy)propanoate
CID 4556388
2-(4-tert-butylphenoxy)propanoate
CID 71431991
2-(3,4-dimethylphenoxy)propanoate
CID 4744716
[4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate
CID 123731391
dimethyl (4-methylsulfanylphenyl) phosphate
CID 18621
(3R)-3-[4-[(2S)-3-oxobutan-2-yl]oxyphenoxy]butan-2-one
CID 1489408
(2R)-2-[4-(carboxylatomethoxy)phenoxy]propanoate;piperazine-1,4-diium
CID 139084041
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
methyl (4-nitrophenyl) propan-2-yl phosphate
CID 71452799
(2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate
CID 6957334
potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate
CID 157101066

Frequently Asked Questions

What is the IUPAC name of 2-(4-dimethoxyphosphoryloxyphenoxy)propanoate?
The IUPAC name of 2-(4-dimethoxyphosphoryloxyphenoxy)propanoate (CID 57363896) is 2-(4-dimethoxyphosphoryloxyphenoxy)propanoate.
What is the SMILES notation for 2-(4-dimethoxyphosphoryloxyphenoxy)propanoate?
The canonical SMILES for 2-(4-dimethoxyphosphoryloxyphenoxy)propanoate is COP(=O)(OC)Oc1ccc(OC(C)C(=O)[O-])cc1.
What is the InChIKey of 2-(4-dimethoxyphosphoryloxyphenoxy)propanoate?
The InChIKey is KYYHJWRAONPYDT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15O7P/c1-8(11(12)13)17-9-4-6-10(7-5-9)18-19(14,15-2)16-3/h4-8H,1-3H3,(H,12,13)/p-1.
What are the key properties of 2-(4-dimethoxyphosphoryloxyphenoxy)propanoate?
2-(4-dimethoxyphosphoryloxyphenoxy)propanoate has a molecular weight of 289.20 g/mol, XLogP of 0.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dimethoxyphosphoryloxyphenoxy)propanoate is sourced from PubChem (CID 57363896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).