methyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate

C19H17FO4 — CID 86960299

IUPACmethyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COC(=O)C2(c3cccc(F)c3)CC2)c1
InChIInChI=1S/C19H17FO4/c1-23-17(21)14-5-2-4-13(10-14)12-24-18(22)19(8-9-19)15-6-3-7-16(20)11-15/h2-7,10-11H,8-9,12H2,1H3
InChIKeyPCTBUQSDDLWANF-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.39
Rot. Bonds5

About methyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate

methyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate (PubChem CID 86960299) has the molecular formula C19H17FO4 and a molecular weight of 328.34 g/mol. Its IUPAC name is methyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate
PubChem CID86960299
Molecular FormulaC19H17FO4
Molecular Weight328.34 g/mol
Exact Mass328.11
IUPAC Namemethyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COC(=O)C2(c3cccc(F)c3)CC2)c1
InChIInChI=1S/C19H17FO4/c1-23-17(21)14-5-2-4-13(10-14)12-24-18(22)19(8-9-19)15-6-3-7-16(20)11-15/h2-7,10-11H,8-9,12H2,1H3
InChIKeyPCTBUQSDDLWANF-UHFFFAOYSA-N
XLogP3.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]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-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate?
The IUPAC name of methyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate (CID 86960299) is methyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate?
The canonical SMILES for methyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate is COC(=O)c1cccc(COC(=O)C2(c3cccc(F)c3)CC2)c1.
What is the InChIKey of methyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate?
The InChIKey is PCTBUQSDDLWANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO4/c1-23-17(21)14-5-2-4-13(10-14)12-24-18(22)19(8-9-19)15-6-3-7-16(20)11-15/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of methyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate?
methyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate has a molecular weight of 328.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(3-fluorophenyl)cyclopropanecarbonyl]oxymethyl]benzoate is sourced from PubChem (CID 86960299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).