propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate

C19H18F2O5 — CID 55664888

IUPACpropan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate
SMILESCC(C)OC(=O)c1ccc(OCC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C19H18F2O5/c1-12(2)25-18(23)14-5-7-15(8-6-14)24-11-17(22)13-3-9-16(10-4-13)26-19(20)21/h3-10,12,19H,11H2,1-2H3
InChIKeyZAPBVWXPIIDZBZ-UHFFFAOYSA-N
MW364.34 g/mol
LogP4.11
Rot. Bonds8

About propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate

propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate (PubChem CID 55664888) has the molecular formula C19H18F2O5 and a molecular weight of 364.34 g/mol. Its IUPAC name is propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate
PubChem CID55664888
Molecular FormulaC19H18F2O5
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC Namepropan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate
SMILESCC(C)OC(=O)c1ccc(OCC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C19H18F2O5/c1-12(2)25-18(23)14-5-7-15(8-6-14)24-11-17(22)13-3-9-16(10-4-13)26-19(20)21/h3-10,12,19H,11H2,1-2H3
InChIKeyZAPBVWXPIIDZBZ-UHFFFAOYSA-N
XLogP4.11
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
CID 7931593
(1-amino-1-oxopropan-2-yl) 4-(difluoromethoxy)benzoate
CID 18076582
[(2R)-1-amino-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 2612532
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate
CID 142863752
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 16507913
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612428
methyl 4-[4-(difluoromethoxy)phenyl]-2,4-dioxobutanoate
CID 17024669
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 4876666
1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone
CID 55463619
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 7290980
propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate
CID 55664981

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate?
The IUPAC name of propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate (CID 55664888) is propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate.
What is the SMILES notation for propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate?
The canonical SMILES for propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate is CC(C)OC(=O)c1ccc(OCC(=O)c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate?
The InChIKey is ZAPBVWXPIIDZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O5/c1-12(2)25-18(23)14-5-7-15(8-6-14)24-11-17(22)13-3-9-16(10-4-13)26-19(20)21/h3-10,12,19H,11H2,1-2H3.
What are the key properties of propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate?
propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate has a molecular weight of 364.34 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate is sourced from PubChem (CID 55664888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).