[ethoxy(phenylsulfanyl)phosphoryl]oxybenzene

C14H15O3PS — CID 67093206

IUPAC[ethoxy(phenylsulfanyl)phosphoryl]oxybenzene
SMILESCCOP(=O)(Oc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H15O3PS/c1-2-16-18(15,17-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyNWYNFOFVOQDURR-UHFFFAOYSA-N
MW294.31 g/mol
LogP5.00
Rot. Bonds6

About [ethoxy(phenylsulfanyl)phosphoryl]oxybenzene

[ethoxy(phenylsulfanyl)phosphoryl]oxybenzene (PubChem CID 67093206) has the molecular formula C14H15O3PS and a molecular weight of 294.31 g/mol. Its IUPAC name is [ethoxy(phenylsulfanyl)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[ethoxy(phenylsulfanyl)phosphoryl]oxybenzene
PubChem CID67093206
Molecular FormulaC14H15O3PS
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Name[ethoxy(phenylsulfanyl)phosphoryl]oxybenzene
SMILESCCOP(=O)(Oc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H15O3PS/c1-2-16-18(15,17-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyNWYNFOFVOQDURR-UHFFFAOYSA-N
XLogP5.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.31
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene
CID 28292
[ethyl(phenylsulfanyl)phosphoryl]oxybenzene
CID 66677428
[cyclohexylsulfanyl(ethoxy)phosphoryl]oxybenzene
CID 137470215
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
dibutoxyphosphorylsulfanylbenzene
CID 12968047
4-diethoxyphosphorylsulfanylaniline
CID 102108061
1-bromo-4-diethoxyphosphorylsulfanylbenzene
CID 102108060
[chloromethyl(ethoxy)phosphoryl]oxybenzene
CID 71429135
[phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene
CID 90676738
4-diethoxyphosphorylsulfanylbenzonitrile
CID 164685616
diethyl phenylsulfanyl phosphate
CID 141165956
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616

Frequently Asked Questions

What is the IUPAC name of [ethoxy(phenylsulfanyl)phosphoryl]oxybenzene?
The IUPAC name of [ethoxy(phenylsulfanyl)phosphoryl]oxybenzene (CID 67093206) is [ethoxy(phenylsulfanyl)phosphoryl]oxybenzene.
What is the SMILES notation for [ethoxy(phenylsulfanyl)phosphoryl]oxybenzene?
The canonical SMILES for [ethoxy(phenylsulfanyl)phosphoryl]oxybenzene is CCOP(=O)(Oc1ccccc1)Sc1ccccc1.
What is the InChIKey of [ethoxy(phenylsulfanyl)phosphoryl]oxybenzene?
The InChIKey is NWYNFOFVOQDURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O3PS/c1-2-16-18(15,17-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of [ethoxy(phenylsulfanyl)phosphoryl]oxybenzene?
[ethoxy(phenylsulfanyl)phosphoryl]oxybenzene has a molecular weight of 294.31 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(phenylsulfanyl)phosphoryl]oxybenzene is sourced from PubChem (CID 67093206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).