ethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate

C23H24ClO2P — CID 175474238

IUPACethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate
SMILESCCOC(=O)CCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24ClO2P/c1-2-26-23(25)18-19-27(24,20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,2,18-19H2,1H3
InChIKeyZCRLDMGNAAFFIJ-UHFFFAOYSA-N
MW398.87 g/mol
LogP4.62
Rot. Bonds7

About ethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate

ethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate (PubChem CID 175474238) has the molecular formula C23H24ClO2P and a molecular weight of 398.87 g/mol. Its IUPAC name is ethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate
PubChem CID175474238
Molecular FormulaC23H24ClO2P
Molecular Weight398.87 g/mol
Exact Mass398.12
IUPAC Nameethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate
SMILESCCOC(=O)CCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24ClO2P/c1-2-26-23(25)18-19-27(24,20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,2,18-19H2,1H3
InChIKeyZCRLDMGNAAFFIJ-UHFFFAOYSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5,5-difluoro-5-phenylpentanoate
CID 132538459
ethyl 4-oxo-4-(1-phenylcyclopropyl)butanoate
CID 66323170
ethyl butanoate;phthalic acid
CID 175043682
ethyl 5-phenylhex-5-enoate
CID 146276439
ethyl 5-oxo-5-phenylsulfanylpentanoate
CID 15064894
ethyl 3-anilinopropanoate
CID 10910393
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl 7,8-dioxo-8-phenyloctanoate
CID 102494315
(6-ethoxy-6-oxohexyl)-triphenylphosphanium
CID 10345272
benzene;4-ethoxy-4-oxobutanoic acid
CID 67333370
ethyl 2-phenylacetate
CID 7590
chloro-ethyl-triphenyl-λ5-phosphane
CID 12903040

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate?
The IUPAC name of ethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate (CID 175474238) is ethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate.
What is the SMILES notation for ethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate?
The canonical SMILES for ethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate is CCOC(=O)CCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate?
The InChIKey is ZCRLDMGNAAFFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClO2P/c1-2-26-23(25)18-19-27(24,20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,2,18-19H2,1H3.
What are the key properties of ethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate?
ethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate has a molecular weight of 398.87 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[chloro(triphenyl)-λ5-phosphanyl]propanoate is sourced from PubChem (CID 175474238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).