(2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide

C10H14NO3P — CID 125493266

IUPAC(2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide
SMILESC[C@@H]1CCO[P@](=O)(Oc2ccccc2)N1
InChIInChI=1S/C10H14NO3P/c1-9-7-8-13-15(12,11-9)14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,11,12)/t9-,15+/m1/s1
InChIKeyWPDATXOFGXAWDR-PSLIRLAXSA-N
MW227.20 g/mol
LogP2.57
Rot. Bonds2

About (2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide

(2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide (PubChem CID 125493266) has the molecular formula C10H14NO3P and a molecular weight of 227.20 g/mol. Its IUPAC name is (2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide.

Molecular Properties

Compound Name(2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide
PubChem CID125493266
Molecular FormulaC10H14NO3P
Molecular Weight227.20 g/mol
Exact Mass227.07
IUPAC Name(2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide
SMILESC[C@@H]1CCO[P@](=O)(Oc2ccccc2)N1
InChIInChI=1S/C10H14NO3P/c1-9-7-8-13-15(12,11-9)14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,11,12)/t9-,15+/m1/s1
InChIKeyWPDATXOFGXAWDR-PSLIRLAXSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide
CID 125493267
4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 23418629
(3S,7aR,9R)-3-methyl-5-oxo-5-phenoxy-9-propan-2-yl-4,7,7a,9,10,10a-hexahydro-3H-furo[3,2-g][1,6,3,2]dioxazaphosphonin-2-one
CID 70961868
(2S,4S,5R)-5-bromo-2-phenoxy-4-phenyl-1,3,2λ5-dioxaphosphepane 2-oxide
CID 10915953
2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 13308395
6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
CID 73229129
3-phenoxy-1,5-dihydro-2,4,3lambda5-benzodioxaphosphepine 3-oxide
CID 13459942
(2S,4aR,8aR)-3-methyl-2-phenoxy-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3,2]diazaphosphinine 2-oxide
CID 11536456
2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide
CID 142743096
4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 23416155
(1S,9S,11R,14S,17R)-17-fluoro-9-methyl-16-(5-methyl-2,4-dioxopyrimidin-1-yl)-11-oxo-11-phenoxy-2,7,12,15-tetraoxa-10-aza-11λ5-phosphabicyclo[12.3.0]heptadecane-3,8-dione
CID 134414833
(3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide
CID 171069326

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide?
The IUPAC name of (2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide (CID 125493266) is (2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide.
What is the SMILES notation for (2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide?
The canonical SMILES for (2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide is C[C@@H]1CCO[P@](=O)(Oc2ccccc2)N1.
What is the InChIKey of (2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide?
The InChIKey is WPDATXOFGXAWDR-PSLIRLAXSA-N. The full InChI is InChI=1S/C10H14NO3P/c1-9-7-8-13-15(12,11-9)14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,11,12)/t9-,15+/m1/s1.
What are the key properties of (2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide?
(2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide has a molecular weight of 227.20 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide is sourced from PubChem (CID 125493266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).