methyl 4-(2-fluorophenyl)benzoate

C14H11FO2 — CID 715052

IUPACmethyl 4-(2-fluorophenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C14H11FO2/c1-17-14(16)11-8-6-10(7-9-11)12-4-2-3-5-13(12)15/h2-9H,1H3
InChIKeyVNTSDXWGEZLFNC-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.28
Rot. Bonds2

About methyl 4-(2-fluorophenyl)benzoate

methyl 4-(2-fluorophenyl)benzoate (PubChem CID 715052) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is methyl 4-(2-fluorophenyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-fluorophenyl)benzoate
PubChem CID715052
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Namemethyl 4-(2-fluorophenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C14H11FO2/c1-17-14(16)11-8-6-10(7-9-11)12-4-2-3-5-13(12)15/h2-9H,1H3
InChIKeyVNTSDXWGEZLFNC-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 4-(2-fluorophenyl)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 4-(2-fluorophenyl)benzoate?
The IUPAC name of methyl 4-(2-fluorophenyl)benzoate (CID 715052) is methyl 4-(2-fluorophenyl)benzoate.
What is the SMILES notation for methyl 4-(2-fluorophenyl)benzoate?
The canonical SMILES for methyl 4-(2-fluorophenyl)benzoate is COC(=O)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of methyl 4-(2-fluorophenyl)benzoate?
The InChIKey is VNTSDXWGEZLFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c1-17-14(16)11-8-6-10(7-9-11)12-4-2-3-5-13(12)15/h2-9H,1H3.
What are the key properties of methyl 4-(2-fluorophenyl)benzoate?
methyl 4-(2-fluorophenyl)benzoate has a molecular weight of 230.24 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluorophenyl)benzoate is sourced from PubChem (CID 715052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).