5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide

C19H21O3PSe — CID 170556102

IUPAC5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESCCOP1(=O)CCC([Se]Cc2ccccc2)=C(c2ccccc2)O1
InChIInChI=1S/C19H21O3PSe/c1-2-21-23(20)14-13-18(24-15-16-9-5-3-6-10-16)19(22-23)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKeyYXYXBWIHBBXRQB-UHFFFAOYSA-N
MW407.31 g/mol
LogP4.91
Rot. Bonds6

About 5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide

5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide (PubChem CID 170556102) has the molecular formula C19H21O3PSe and a molecular weight of 407.31 g/mol. Its IUPAC name is 5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide.

Molecular Properties

Compound Name5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide
PubChem CID170556102
Molecular FormulaC19H21O3PSe
Molecular Weight407.31 g/mol
Exact Mass408.04
IUPAC Name5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESCCOP1(=O)CCC([Se]Cc2ccccc2)=C(c2ccccc2)O1
InChIInChI=1S/C19H21O3PSe/c1-2-21-23(20)14-13-18(24-15-16-9-5-3-6-10-16)19(22-23)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKeyYXYXBWIHBBXRQB-UHFFFAOYSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide
CID 175961690
[4-(2-ethoxy-2-oxo-5-phenylselanyl-3,4-dihydro-1,2λ5-oxaphosphinin-6-yl)phenyl]methyl 4-(dipropylsulfamoyl)benzoate
CID 170556125
(2-bromocyclohexen-1-yl)selanylmethylbenzene
CID 11131321
8-bromo-2-ethoxy-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide
CID 142733794
1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 118537026
ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate
CID 143259904
1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 118536975
1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide
CID 135080518
1-benzyl-4-methyl-2,3-dihydro-1λ5-phosphole 1-oxide
CID 19744907
1-ethoxy-3-(4-methoxyphenyl)-4-phenylselanyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 170556133
dimethoxyphosphorylselanylmethylbenzene
CID 86578734
1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide
CID 164683795

Frequently Asked Questions

What is the IUPAC name of 5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The IUPAC name of 5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide (CID 170556102) is 5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide.
What is the SMILES notation for 5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The canonical SMILES for 5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide is CCOP1(=O)CCC([Se]Cc2ccccc2)=C(c2ccccc2)O1.
What is the InChIKey of 5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The InChIKey is YXYXBWIHBBXRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21O3PSe/c1-2-21-23(20)14-13-18(24-15-16-9-5-3-6-10-16)19(22-23)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3.
What are the key properties of 5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide?
5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide has a molecular weight of 407.31 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide is sourced from PubChem (CID 170556102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).