methyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)benzoate

C17H17FO4 — CID 67483724

IUPACmethyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)benzoate
SMILESCOC(=O)c1cccc(Oc2cccc(OC(C)C)c2F)c1
InChIInChI=1S/C17H17FO4/c1-11(2)21-14-8-5-9-15(16(14)18)22-13-7-4-6-12(10-13)17(19)20-3/h4-11H,1-3H3
InChIKeyUVJRKZGGADEWNL-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.19
Rot. Bonds5

About methyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)benzoate

methyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)benzoate (PubChem CID 67483724) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is methyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)benzoate
PubChem CID67483724
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Namemethyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)benzoate
SMILESCOC(=O)c1cccc(Oc2cccc(OC(C)C)c2F)c1
InChIInChI=1S/C17H17FO4/c1-11(2)21-14-8-5-9-15(16(14)18)22-13-7-4-6-12(10-13)17(19)20-3/h4-11H,1-3H3
InChIKeyUVJRKZGGADEWNL-UHFFFAOYSA-N
XLogP4.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)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 methyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)benzoate?
The IUPAC name of methyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)benzoate (CID 67483724) is methyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)benzoate.
What is the SMILES notation for methyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)benzoate?
The canonical SMILES for methyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)benzoate is COC(=O)c1cccc(Oc2cccc(OC(C)C)c2F)c1.
What is the InChIKey of methyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)benzoate?
The InChIKey is UVJRKZGGADEWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c1-11(2)21-14-8-5-9-15(16(14)18)22-13-7-4-6-12(10-13)17(19)20-3/h4-11H,1-3H3.
What are the key properties of methyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)benzoate?
methyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)benzoate has a molecular weight of 304.32 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluoro-3-propan-2-yloxyphenoxy)benzoate is sourced from PubChem (CID 67483724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).