[ethyl(phenylsulfanyl)phosphoryl]oxybenzene

C14H15O2PS — CID 66677428

IUPAC[ethyl(phenylsulfanyl)phosphoryl]oxybenzene
SMILESCCP(=O)(Oc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H15O2PS/c1-2-17(15,16-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyXQHOFKCSTBPHNL-UHFFFAOYSA-N
MW278.31 g/mol
LogP5.07
Rot. Bonds5

About [ethyl(phenylsulfanyl)phosphoryl]oxybenzene

[ethyl(phenylsulfanyl)phosphoryl]oxybenzene (PubChem CID 66677428) has the molecular formula C14H15O2PS and a molecular weight of 278.31 g/mol. Its IUPAC name is [ethyl(phenylsulfanyl)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[ethyl(phenylsulfanyl)phosphoryl]oxybenzene
PubChem CID66677428
Molecular FormulaC14H15O2PS
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC Name[ethyl(phenylsulfanyl)phosphoryl]oxybenzene
SMILESCCP(=O)(Oc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H15O2PS/c1-2-17(15,16-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyXQHOFKCSTBPHNL-UHFFFAOYSA-N
XLogP5.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.31
LogP ≤ 55.07
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

[ethoxy(phenylsulfanyl)phosphoryl]oxybenzene
CID 67093206
zinc ethyl(phenoxy)phosphinate
CID 118975861
[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene
CID 28292
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
dibutoxyphosphorylsulfanylbenzene
CID 12968047
but-1-enyl(phenoxy)phosphinic acid
CID 139802043
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
potassium diphenyl phosphate
CID 23671717
cesium diphenyl phosphate
CID 23664598
1-chloro-4-[ethoxy(ethyl)phosphoryl]sulfanylbenzene
CID 3046596
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
triphenyl phosphate;hydrate
CID 66881958

Frequently Asked Questions

What is the IUPAC name of [ethyl(phenylsulfanyl)phosphoryl]oxybenzene?
The IUPAC name of [ethyl(phenylsulfanyl)phosphoryl]oxybenzene (CID 66677428) is [ethyl(phenylsulfanyl)phosphoryl]oxybenzene.
What is the SMILES notation for [ethyl(phenylsulfanyl)phosphoryl]oxybenzene?
The canonical SMILES for [ethyl(phenylsulfanyl)phosphoryl]oxybenzene is CCP(=O)(Oc1ccccc1)Sc1ccccc1.
What is the InChIKey of [ethyl(phenylsulfanyl)phosphoryl]oxybenzene?
The InChIKey is XQHOFKCSTBPHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O2PS/c1-2-17(15,16-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of [ethyl(phenylsulfanyl)phosphoryl]oxybenzene?
[ethyl(phenylsulfanyl)phosphoryl]oxybenzene has a molecular weight of 278.31 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(phenylsulfanyl)phosphoryl]oxybenzene is sourced from PubChem (CID 66677428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).