2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide

C19H21O3PSe — CID 175961690

IUPAC2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESCCOP1(=O)CCC([Se]c2ccccc2C)=C(c2ccccc2)O1
InChIInChI=1S/C19H21O3PSe/c1-3-21-23(20)14-13-18(24-17-12-8-7-9-15(17)2)19(22-23)16-10-5-4-6-11-16/h4-12H,3,13-14H2,1-2H3
InChIKeySYISAFFYTWWSHW-UHFFFAOYSA-N
MW407.31 g/mol
LogP4.34
Rot. Bonds5

About 2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide

2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide (PubChem CID 175961690) has the molecular formula C19H21O3PSe and a molecular weight of 407.31 g/mol. Its IUPAC name is 2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide.

Molecular Properties

Compound Name2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide
PubChem CID175961690
Molecular FormulaC19H21O3PSe
Molecular Weight407.31 g/mol
Exact Mass408.04
IUPAC Name2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESCCOP1(=O)CCC([Se]c2ccccc2C)=C(c2ccccc2)O1
InChIInChI=1S/C19H21O3PSe/c1-3-21-23(20)14-13-18(24-17-12-8-7-9-15(17)2)19(22-23)16-10-5-4-6-11-16/h4-12H,3,13-14H2,1-2H3
InChIKeySYISAFFYTWWSHW-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 54.34
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

5-benzylselanyl-2-ethoxy-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide
CID 170556102
[4-(2-ethoxy-2-oxo-5-phenylselanyl-3,4-dihydro-1,2λ5-oxaphosphinin-6-yl)phenyl]methyl 4-(dipropylsulfamoyl)benzoate
CID 170556125
1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 72701570
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
1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 118536975
1-ethoxy-3-(4-methoxyphenyl)-4-phenylselanyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 170556133
1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene
CID 132527662
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 90467370
2-ethoxy-3-methyl-5-phenyl-2-sulfanylidene-1,3,4,2λ5-oxadiazaphosphole
CID 23418904
1-ethoxy-3,4-dihydro-2H-phosphinoline 1-oxide
CID 135080518

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The IUPAC name of 2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide (CID 175961690) is 2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide.
What is the SMILES notation for 2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The canonical SMILES for 2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide is CCOP1(=O)CCC([Se]c2ccccc2C)=C(c2ccccc2)O1.
What is the InChIKey of 2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The InChIKey is SYISAFFYTWWSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21O3PSe/c1-3-21-23(20)14-13-18(24-17-12-8-7-9-15(17)2)19(22-23)16-10-5-4-6-11-16/h4-12H,3,13-14H2,1-2H3.
What are the key properties of 2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide?
2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide has a molecular weight of 407.31 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(2-methylphenyl)selanyl-6-phenyl-3,4-dihydro-1,2λ5-oxaphosphinine 2-oxide is sourced from PubChem (CID 175961690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).