(2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide

C10H12ClO3P — CID 149326876

IUPAC(2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC[P@@]1(=O)OCC[C@@H](c2cccc(Cl)c2)O1
InChIInChI=1S/C10H12ClO3P/c1-15(12)13-6-5-10(14-15)8-3-2-4-9(11)7-8/h2-4,7,10H,5-6H2,1H3/t10-,15+/m0/s1
InChIKeyYBNXAPOYTZJBGT-ZUZCIYMTSA-N
MW246.63 g/mol
LogP3.64
Rot. Bonds1

About (2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide

(2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 149326876) has the molecular formula C10H12ClO3P and a molecular weight of 246.63 g/mol. Its IUPAC name is (2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name(2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID149326876
Molecular FormulaC10H12ClO3P
Molecular Weight246.63 g/mol
Exact Mass246.02
IUPAC Name(2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC[P@@]1(=O)OCC[C@@H](c2cccc(Cl)c2)O1
InChIInChI=1S/C10H12ClO3P/c1-15(12)13-6-5-10(14-15)8-3-2-4-9(11)7-8/h2-4,7,10H,5-6H2,1H3/t10-,15+/m0/s1
InChIKeyYBNXAPOYTZJBGT-ZUZCIYMTSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.63
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]oxy]-N,N-dihydroxyaniline
CID 59603063
4-(3-chlorophenyl)-2-(2-ethoxybutoxy)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 143100371
[(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
(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
4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-methyl-6-propan-2-ylphenol
CID 143339896
N-[9-[2-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2-tritioethyl]purin-6-yl]ethanimine
CID 146857628
5-(3-chlorophenyl)-3-cyclopropyl-1,3-oxazolidin-2-one
CID 82083954
(2E,4E)-6-[4-[[4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]-3-ethyl-5-methylhexa-2,4-dien-2-ol;propane;prop-1-yne
CID 143339894
6-[[4-[[4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylpyridin-3-ol
CID 87143181
[4-[[4-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenyl] acetate
CID 59267358
4-[[4-[[(2R)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-ethyl-6-propan-2-ylphenol
CID 143340307
4-[[4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]amino]-1-[(2R,4S,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 164942896

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of (2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 149326876) is (2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for (2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for (2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide is C[P@@]1(=O)OCC[C@@H](c2cccc(Cl)c2)O1.
What is the InChIKey of (2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is YBNXAPOYTZJBGT-ZUZCIYMTSA-N. The full InChI is InChI=1S/C10H12ClO3P/c1-15(12)13-6-5-10(14-15)8-3-2-4-9(11)7-8/h2-4,7,10H,5-6H2,1H3/t10-,15+/m0/s1.
What are the key properties of (2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
(2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 246.63 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(3-chlorophenyl)-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 149326876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).