4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene

C10H14ClO3PS — CID 3084850

IUPAC4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene
SMILESCCOP(=O)(Cl)Oc1ccc(SC)c(C)c1
InChIInChI=1S/C10H14ClO3PS/c1-4-13-15(11,12)14-9-5-6-10(16-3)8(2)7-9/h5-7H,4H2,1-3H3
InChIKeyOAOLRDFLDHVCRT-UHFFFAOYSA-N
MW280.71 g/mol
LogP4.48
Rot. Bonds5

About 4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene

4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene (PubChem CID 3084850) has the molecular formula C10H14ClO3PS and a molecular weight of 280.71 g/mol. Its IUPAC name is 4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene.

Molecular Properties

Compound Name4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene
PubChem CID3084850
Molecular FormulaC10H14ClO3PS
Molecular Weight280.71 g/mol
Exact Mass280.01
IUPAC Name4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene
SMILESCCOP(=O)(Cl)Oc1ccc(SC)c(C)c1
InChIInChI=1S/C10H14ClO3PS/c1-4-13-15(11,12)14-9-5-6-10(16-3)8(2)7-9/h5-7H,4H2,1-3H3
InChIKeyOAOLRDFLDHVCRT-UHFFFAOYSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 54.48
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 4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene?
The IUPAC name of 4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene (CID 3084850) is 4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene.
What is the SMILES notation for 4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene?
The canonical SMILES for 4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene is CCOP(=O)(Cl)Oc1ccc(SC)c(C)c1.
What is the InChIKey of 4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene?
The InChIKey is OAOLRDFLDHVCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClO3PS/c1-4-13-15(11,12)14-9-5-6-10(16-3)8(2)7-9/h5-7H,4H2,1-3H3.
What are the key properties of 4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene?
4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene has a molecular weight of 280.71 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene is sourced from PubChem (CID 3084850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).