[2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate

C16H11ClF2O4 — CID 55327319

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccccc1OC(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF2O4/c17-11-7-5-10(6-8-11)13(20)9-22-15(21)12-3-1-2-4-14(12)23-16(18)19/h1-8,16H,9H2
InChIKeyXRMVYOUEKVMZTP-UHFFFAOYSA-N
MW340.71 g/mol
LogP3.98
Rot. Bonds6

About [2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate

[2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate (PubChem CID 55327319) has the molecular formula C16H11ClF2O4 and a molecular weight of 340.71 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
PubChem CID55327319
Molecular FormulaC16H11ClF2O4
Molecular Weight340.71 g/mol
Exact Mass340.03
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccccc1OC(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF2O4/c17-11-7-5-10(6-8-11)13(20)9-22-15(21)12-3-1-2-4-14(12)23-16(18)19/h1-8,16H,9H2
InChIKeyXRMVYOUEKVMZTP-UHFFFAOYSA-N
XLogP3.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.71
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327426
[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
CID 587174
phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691735
benzyl 2-(difluoromethoxy)benzoate
CID 55327292
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2399403
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691757
[2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327251
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 23904435
(2,4-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 63492359
3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one
CID 175668326
2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone
CID 115736583

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate (CID 55327319) is [2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate is O=C(COC(=O)c1ccccc1OC(F)F)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The InChIKey is XRMVYOUEKVMZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2O4/c17-11-7-5-10(6-8-11)13(20)9-22-15(21)12-3-1-2-4-14(12)23-16(18)19/h1-8,16H,9H2.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
[2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate has a molecular weight of 340.71 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 55327319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).