2,4-dichloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene

C11H15Cl2O3PS — CID 3034798

IUPAC2,4-dichloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
SMILESCCCSP(=O)(OCC)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2O3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3
InChIKeyZGPVUVBRTCPAPZ-UHFFFAOYSA-N
MW329.19 g/mol
LogP5.66
Rot. Bonds7

About 2,4-dichloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene

2,4-dichloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene (PubChem CID 3034798) has the molecular formula C11H15Cl2O3PS and a molecular weight of 329.19 g/mol. Its IUPAC name is 2,4-dichloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene.

Molecular Properties

Compound Name2,4-dichloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
PubChem CID3034798
Molecular FormulaC11H15Cl2O3PS
Molecular Weight329.19 g/mol
Exact Mass327.99
IUPAC Name2,4-dichloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
SMILESCCCSP(=O)(OCC)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2O3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3
InChIKeyZGPVUVBRTCPAPZ-UHFFFAOYSA-N
XLogP5.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.19
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene?
The IUPAC name of 2,4-dichloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene (CID 3034798) is 2,4-dichloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene.
What is the SMILES notation for 2,4-dichloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene?
The canonical SMILES for 2,4-dichloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene is CCCSP(=O)(OCC)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene?
The InChIKey is ZGPVUVBRTCPAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2O3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2,4-dichloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene?
2,4-dichloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene has a molecular weight of 329.19 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene is sourced from PubChem (CID 3034798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).