methyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate

C23H22ClO4P — CID 12066016

IUPACmethyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate
SMILESCOC(=O)CP(OC(=O)CCl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22ClO4P/c1-27-23(26)18-29(28-22(25)17-24,19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3
InChIKeyUEAANFKZRDAKCQ-UHFFFAOYSA-N
MW428.85 g/mol
LogP3.39
Rot. Bonds7

About methyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate

methyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate (PubChem CID 12066016) has the molecular formula C23H22ClO4P and a molecular weight of 428.85 g/mol. Its IUPAC name is methyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate
PubChem CID12066016
Molecular FormulaC23H22ClO4P
Molecular Weight428.85 g/mol
Exact Mass428.09
IUPAC Namemethyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate
SMILESCOC(=O)CP(OC(=O)CCl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22ClO4P/c1-27-23(26)18-29(28-22(25)17-24,19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3
InChIKeyUEAANFKZRDAKCQ-UHFFFAOYSA-N
XLogP3.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.85
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[hydroxy(triphenyl)-λ5-phosphanyl]acetate
CID 140553045
methyl 2-[(4-methylphenyl)sulfonyloxy-triphenyl-λ5-phosphanyl]acetate
CID 12066018
benzyl 2-chloroacetate
CID 8786
[(1R)-1-phenylethyl] 2-chloroacetate
CID 14113253
potassium (3-methoxy-3-oxopropyl)-phenylphosphinate
CID 175322070
methyl 4-[bromo(triphenyl)-lambda5-phosphanyl]butanoate
CID 14603913
methyl 5,5-diphenylpentanoate
CID 10923549
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl 4-[(2-chloroacetyl)amino]-4-phenylbutanoate
CID 154856523
CID 172801156
CID 172801156
methyl 2-anilinooxyacetate
CID 154072974
chlorobenzene;methyl 2-bromoacetate
CID 87617640

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate?
The IUPAC name of methyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate (CID 12066016) is methyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate.
What is the SMILES notation for methyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate?
The canonical SMILES for methyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate is COC(=O)CP(OC(=O)CCl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate?
The InChIKey is UEAANFKZRDAKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClO4P/c1-27-23(26)18-29(28-22(25)17-24,19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3.
What are the key properties of methyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate?
methyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate has a molecular weight of 428.85 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate is sourced from PubChem (CID 12066016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).