dimethoxyphosphoryl 2-phenoxyacetate

C10H13O6P — CID 151330688

IUPACdimethoxyphosphoryl 2-phenoxyacetate
SMILESCOP(=O)(OC)OC(=O)COc1ccccc1
InChIInChI=1S/C10H13O6P/c1-13-17(12,14-2)16-10(11)8-15-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyOIJYDMJDIKUERC-UHFFFAOYSA-N
MW260.18 g/mol
LogP2.01
Rot. Bonds6

About dimethoxyphosphoryl 2-phenoxyacetate

dimethoxyphosphoryl 2-phenoxyacetate (PubChem CID 151330688) has the molecular formula C10H13O6P and a molecular weight of 260.18 g/mol. Its IUPAC name is dimethoxyphosphoryl 2-phenoxyacetate.

Molecular Properties

Compound Namedimethoxyphosphoryl 2-phenoxyacetate
PubChem CID151330688
Molecular FormulaC10H13O6P
Molecular Weight260.18 g/mol
Exact Mass260.04
IUPAC Namedimethoxyphosphoryl 2-phenoxyacetate
SMILESCOP(=O)(OC)OC(=O)COc1ccccc1
InChIInChI=1S/C10H13O6P/c1-13-17(12,14-2)16-10(11)8-15-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyOIJYDMJDIKUERC-UHFFFAOYSA-N
XLogP2.01
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-phenoxyethaneperoxoate
CID 57363881
dimethyl (Z)-3-dimethoxyphosphoryloxypent-2-enedioate;2-phenoxyacetic acid
CID 118599706
propan-2-yl 2-phenoxyacetate
CID 11367560
chloromethane;2-phenoxyacetic acid
CID 157255542
(2-phenoxyacetyl) butanoate
CID 91385395
2-phenoxyacetic acid;titanium
CID 174896747
(2-oxo-3-phenoxypropyl)phosphonic acid
CID 22768553
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940
bis(methyl 2-phenoxyacetate);hexakis(methyl 2-phenylacetate);bis(2-phenylacetic acid)
CID 174488693
5-methoxy-1-phenoxypentan-2-one
CID 115601921
(2,6-dimethylphenyl) 2-phenoxyacetate
CID 678664

Frequently Asked Questions

What is the IUPAC name of dimethoxyphosphoryl 2-phenoxyacetate?
The IUPAC name of dimethoxyphosphoryl 2-phenoxyacetate (CID 151330688) is dimethoxyphosphoryl 2-phenoxyacetate.
What is the SMILES notation for dimethoxyphosphoryl 2-phenoxyacetate?
The canonical SMILES for dimethoxyphosphoryl 2-phenoxyacetate is COP(=O)(OC)OC(=O)COc1ccccc1.
What is the InChIKey of dimethoxyphosphoryl 2-phenoxyacetate?
The InChIKey is OIJYDMJDIKUERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O6P/c1-13-17(12,14-2)16-10(11)8-15-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of dimethoxyphosphoryl 2-phenoxyacetate?
dimethoxyphosphoryl 2-phenoxyacetate has a molecular weight of 260.18 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphoryl 2-phenoxyacetate is sourced from PubChem (CID 151330688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).