benzyl 3-(difluoromethoxy)benzoate

C15H12F2O3 — CID 2309824

IUPACbenzyl 3-(difluoromethoxy)benzoate
SMILESO=C(OCc1ccccc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12F2O3/c16-15(17)20-13-8-4-7-12(9-13)14(18)19-10-11-5-2-1-3-6-11/h1-9,15H,10H2
InChIKeyYRXVINYYMTXMMB-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.64
Rot. Bonds5

About benzyl 3-(difluoromethoxy)benzoate

benzyl 3-(difluoromethoxy)benzoate (PubChem CID 2309824) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is benzyl 3-(difluoromethoxy)benzoate.

Molecular Properties

Compound Namebenzyl 3-(difluoromethoxy)benzoate
PubChem CID2309824
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Namebenzyl 3-(difluoromethoxy)benzoate
SMILESO=C(OCc1ccccc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12F2O3/c16-15(17)20-13-8-4-7-12(9-13)14(18)19-10-11-5-2-1-3-6-11/h1-9,15H,10H2
InChIKeyYRXVINYYMTXMMB-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl 3-(difluoromethoxy)benzoate 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 benzyl 3-(difluoromethoxy)benzoate?
The IUPAC name of benzyl 3-(difluoromethoxy)benzoate (CID 2309824) is benzyl 3-(difluoromethoxy)benzoate.
What is the SMILES notation for benzyl 3-(difluoromethoxy)benzoate?
The canonical SMILES for benzyl 3-(difluoromethoxy)benzoate is O=C(OCc1ccccc1)c1cccc(OC(F)F)c1.
What is the InChIKey of benzyl 3-(difluoromethoxy)benzoate?
The InChIKey is YRXVINYYMTXMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c16-15(17)20-13-8-4-7-12(9-13)14(18)19-10-11-5-2-1-3-6-11/h1-9,15H,10H2.
What are the key properties of benzyl 3-(difluoromethoxy)benzoate?
benzyl 3-(difluoromethoxy)benzoate has a molecular weight of 278.25 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(difluoromethoxy)benzoate is sourced from PubChem (CID 2309824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).