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

C11H15Cl2O3PS — CID 21489075

IUPAC1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
SMILESCCCSP(=O)(OCC)Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2O3PS/c1-3-7-18-17(14,15-4-2)16-11-8-9(12)5-6-10(11)13/h5-6,8H,3-4,7H2,1-2H3
InChIKeyCQAMNXBOSFKWPM-UHFFFAOYSA-N
MW329.19 g/mol
LogP5.66
Rot. Bonds7

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

1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene (PubChem CID 21489075) has the molecular formula C11H15Cl2O3PS and a molecular weight of 329.19 g/mol. Its IUPAC name is 1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene.

Molecular Properties

Compound Name1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
PubChem CID21489075
Molecular FormulaC11H15Cl2O3PS
Molecular Weight329.19 g/mol
Exact Mass327.99
IUPAC Name1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
SMILESCCCSP(=O)(OCC)Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2O3PS/c1-3-7-18-17(14,15-4-2)16-11-8-9(12)5-6-10(11)13/h5-6,8H,3-4,7H2,1-2H3
InChIKeyCQAMNXBOSFKWPM-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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Related Compounds

1-(4-chlorophenyl)sulfinyl-4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
CID 12941004
6-chloro-2-[2-[ethoxy(propylsulfanyl)phosphoryl]oxyphenoxy]quinoxaline
CID 13337748
1-bromo-3-chloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
CID 155289976
1-[ethoxy(propylsulfanyl)phosphoryl]oxy-2-methoxy-4-methylsulfinylbenzene
CID 12881481
2-(4-chlorophenyl)-2-[ethoxy(propylsulfanyl)phosphoryl]oxyacetonitrile
CID 56976557
5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene
CID 21432667
[2-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]methylcarbamic acid
CID 175221165
1-[ethoxy(propylsulfanyl)phosphoryl]oxy-2-(2,2,2-trifluoroethylsulfanyl)benzene
CID 13272083
2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene
CID 13392474
7-[ethoxy(propylsulfanyl)phosphoryl]oxy-2,2-dimethyl-3H-1-benzofuran
CID 13420482
(2,5-dichlorophenyl)-ethoxyphosphinic acid
CID 165355272
N-[(4-chlorophenyl)methyl]-2-diethoxyphosphorylsulfanylethanamine
CID 71363476

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene?
The IUPAC name of 1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene (CID 21489075) is 1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene.
What is the SMILES notation for 1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene?
The canonical SMILES for 1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene is CCCSP(=O)(OCC)Oc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene?
The InChIKey is CQAMNXBOSFKWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2O3PS/c1-3-7-18-17(14,15-4-2)16-11-8-9(12)5-6-10(11)13/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene?
1,4-dichloro-2-[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 1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene is sourced from PubChem (CID 21489075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).