methyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate

C12H15O4P — CID 2785200

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate
SMILESCOC(=O)CP(CC(=O)OC)c1ccccc1
InChIInChI=1S/C12H15O4P/c1-15-11(13)8-17(9-12(14)16-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyKVBQNLMVIVKSRV-UHFFFAOYSA-N
MW254.22 g/mol
LogP1.14
Rot. Bonds5

About methyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate (PubChem CID 2785200) has the molecular formula C12H15O4P and a molecular weight of 254.22 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate
PubChem CID2785200
Molecular FormulaC12H15O4P
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate
SMILESCOC(=O)CP(CC(=O)OC)c1ccccc1
InChIInChI=1S/C12H15O4P/c1-15-11(13)8-17(9-12(14)16-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyKVBQNLMVIVKSRV-UHFFFAOYSA-N
XLogP1.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate (CID 2785200) is methyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate is COC(=O)CP(CC(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate?
The InChIKey is KVBQNLMVIVKSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O4P/c1-15-11(13)8-17(9-12(14)16-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate has a molecular weight of 254.22 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-phenylphosphanyl]acetate is sourced from PubChem (CID 2785200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).