[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate

C19H20F2O4S — CID 122626506

IUPAC[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate
SMILESCCc1ccc(OCc2c(OC(=O)OC)cccc2SC)c(C(F)F)c1
InChIInChI=1S/C19H20F2O4S/c1-4-12-8-9-15(13(10-12)18(20)21)24-11-14-16(25-19(22)23-2)6-5-7-17(14)26-3/h5-10,18H,4,11H2,1-3H3
InChIKeyUUSAZXZRHXKHJD-UHFFFAOYSA-N
MW382.43 g/mol
LogP5.63
Rot. Bonds7

About [2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate

[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate (PubChem CID 122626506) has the molecular formula C19H20F2O4S and a molecular weight of 382.43 g/mol. Its IUPAC name is [2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate.

Molecular Properties

Compound Name[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate
PubChem CID122626506
Molecular FormulaC19H20F2O4S
Molecular Weight382.43 g/mol
Exact Mass382.11
IUPAC Name[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate
SMILESCCc1ccc(OCc2c(OC(=O)OC)cccc2SC)c(C(F)F)c1
InChIInChI=1S/C19H20F2O4S/c1-4-12-8-9-15(13(10-12)18(20)21)24-11-14-16(25-19(22)23-2)6-5-7-17(14)26-3/h5-10,18H,4,11H2,1-3H3
InChIKeyUUSAZXZRHXKHJD-UHFFFAOYSA-N
XLogP5.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate?
The IUPAC name of [2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate (CID 122626506) is [2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate.
What is the SMILES notation for [2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate?
The canonical SMILES for [2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate is CCc1ccc(OCc2c(OC(=O)OC)cccc2SC)c(C(F)F)c1.
What is the InChIKey of [2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate?
The InChIKey is UUSAZXZRHXKHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O4S/c1-4-12-8-9-15(13(10-12)18(20)21)24-11-14-16(25-19(22)23-2)6-5-7-17(14)26-3/h5-10,18H,4,11H2,1-3H3.
What are the key properties of [2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate?
[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate has a molecular weight of 382.43 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-methylsulfanylphenyl] methyl carbonate is sourced from PubChem (CID 122626506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).