4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide

C15H22ClO5P — CID 143100371

IUPAC4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCOC(CC)COP1(=O)OCCC(c2cccc(Cl)c2)O1
InChIInChI=1S/C15H22ClO5P/c1-3-14(18-4-2)11-20-22(17)19-9-8-15(21-22)12-6-5-7-13(16)10-12/h5-7,10,14-15H,3-4,8-9,11H2,1-2H3
InChIKeyUWLGCPCVVKXISB-UHFFFAOYSA-N
MW348.76 g/mol
LogP4.76
Rot. Bonds7

About 4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide

4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 143100371) has the molecular formula C15H22ClO5P and a molecular weight of 348.76 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID143100371
Molecular FormulaC15H22ClO5P
Molecular Weight348.76 g/mol
Exact Mass348.09
IUPAC Name4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCOC(CC)COP1(=O)OCCC(c2cccc(Cl)c2)O1
InChIInChI=1S/C15H22ClO5P/c1-3-14(18-4-2)11-20-22(17)19-9-8-15(21-22)12-6-5-7-13(16)10-12/h5-7,10,14-15H,3-4,8-9,11H2,1-2H3
InChIKeyUWLGCPCVVKXISB-UHFFFAOYSA-N
XLogP4.76
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4S,5S,6R)-2-[[(2R,4R)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxy]-6-[2-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxy]-1-hydroxyethyl]oxane-3,4,5-triol
CID 155091148
(2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 149326876
4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxy]-N,N-dihydroxyaniline
CID 59603063
[(2S)-2-fluoro-2-[(3S,6S)-3,4,5-triacetyloxy-6-[[(2R,4R)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxy]oxan-2-yl]ethyl] acetate
CID 174020757
1-[(2S)-4-[[4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxy]-2-(2-hydroxypropan-2-yloxy)-3-methoxybutyl]-4H-pyridine-3-carboxamide
CID 134557515
(2R,3S,4S,5S,6R)-2-[(1R)-2-[[(4S)-4-(3-chlorophenyl)-2-hydroxy-1,3,2-dioxaphosphinan-2-ium-2-yl]oxy]-1-hydroxyethyl]-6-[[(2R,4R)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxy]oxane-3,4,5-triol
CID 155091208
1-[(2R,4R)-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-4-hydroxy-3-oxooxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 146511253
1-[(2R,3R,4S,5R)-5-azido-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 42642663
[(2R,3S,4R,5R)-2-azido-2-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxycarbonyloxyoxolan-3-yl] methyl carbonate
CID 91300447
(2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-3-methyloxolane-3,4-diol
CID 59169601
9-[(3aR,4R,6R,6aR)-6-[[(2S,4R)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine
CID 16757472
3-[[4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxy]-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol
CID 155575582

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide (CID 143100371) is 4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide is CCOC(CC)COP1(=O)OCCC(c2cccc(Cl)c2)O1.
What is the InChIKey of 4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is UWLGCPCVVKXISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClO5P/c1-3-14(18-4-2)11-20-22(17)19-9-8-15(21-22)12-6-5-7-13(16)10-12/h5-7,10,14-15H,3-4,8-9,11H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide?
4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 348.76 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 143100371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).