methyl 2-[hydroxy(triphenyl)-λ5-phosphanyl]acetate

C21H21O3P — CID 140553045

IUPACmethyl 2-[hydroxy(triphenyl)-λ5-phosphanyl]acetate
SMILESCOC(=O)CP(O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21O3P/c1-24-21(22)17-25(23,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,23H,17H2,1H3
InChIKeySPTNHCXJEBXECR-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.60
Rot. Bonds5

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

methyl 2-[hydroxy(triphenyl)-λ5-phosphanyl]acetate (PubChem CID 140553045) has the molecular formula C21H21O3P and a molecular weight of 352.37 g/mol. Its IUPAC name is methyl 2-[hydroxy(triphenyl)-λ5-phosphanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[hydroxy(triphenyl)-λ5-phosphanyl]acetate
PubChem CID140553045
Molecular FormulaC21H21O3P
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Namemethyl 2-[hydroxy(triphenyl)-λ5-phosphanyl]acetate
SMILESCOC(=O)CP(O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21O3P/c1-24-21(22)17-25(23,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,23H,17H2,1H3
InChIKeySPTNHCXJEBXECR-UHFFFAOYSA-N
XLogP2.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-chloroacetyl)oxy-triphenyl-λ5-phosphanyl]acetate
CID 12066016
methyl 4-[bromo(triphenyl)-lambda5-phosphanyl]butanoate
CID 14603913
methyl 2-[(4-methylphenyl)sulfonyloxy-triphenyl-λ5-phosphanyl]acetate
CID 12066018
CID 172801156
CID 172801156
methyl 5,5-diphenylpentanoate
CID 10923549
(2-methoxy-2-oxoethyl)-triphenylarsanium
CID 3097451
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl (E)-3-phenylpent-3-enoate
CID 10012736
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
carbon dioxide;methyl 2-phenylacetate
CID 159198536
methyl 3-(2-methylanilino)propanoate
CID 12805940
chlorobenzene;methyl 2-bromoacetate
CID 87617640

Frequently Asked Questions

What is the IUPAC name of methyl 2-[hydroxy(triphenyl)-λ5-phosphanyl]acetate?
The IUPAC name of methyl 2-[hydroxy(triphenyl)-λ5-phosphanyl]acetate (CID 140553045) is methyl 2-[hydroxy(triphenyl)-λ5-phosphanyl]acetate.
What is the SMILES notation for methyl 2-[hydroxy(triphenyl)-λ5-phosphanyl]acetate?
The canonical SMILES for methyl 2-[hydroxy(triphenyl)-λ5-phosphanyl]acetate is COC(=O)CP(O)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-[hydroxy(triphenyl)-λ5-phosphanyl]acetate?
The InChIKey is SPTNHCXJEBXECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O3P/c1-24-21(22)17-25(23,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,23H,17H2,1H3.
What are the key properties of methyl 2-[hydroxy(triphenyl)-λ5-phosphanyl]acetate?
methyl 2-[hydroxy(triphenyl)-λ5-phosphanyl]acetate has a molecular weight of 352.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[hydroxy(triphenyl)-λ5-phosphanyl]acetate is sourced from PubChem (CID 140553045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).