(2,4-difluorophenyl) 4-methylbenzoate

C14H10F2O2 — CID 23391162

IUPAC(2,4-difluorophenyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C14H10F2O2/c1-9-2-4-10(5-3-9)14(17)18-13-7-6-11(15)8-12(13)16/h2-8H,1H3
InChIKeyWXJMUDPGHXQKIG-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.49
Rot. Bonds2

About (2,4-difluorophenyl) 4-methylbenzoate

(2,4-difluorophenyl) 4-methylbenzoate (PubChem CID 23391162) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is (2,4-difluorophenyl) 4-methylbenzoate.

Molecular Properties

Compound Name(2,4-difluorophenyl) 4-methylbenzoate
PubChem CID23391162
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name(2,4-difluorophenyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C14H10F2O2/c1-9-2-4-10(5-3-9)14(17)18-13-7-6-11(15)8-12(13)16/h2-8H,1H3
InChIKeyWXJMUDPGHXQKIG-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2,4-difluorophenyl) 4-methylbenzoate 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 (2,4-difluorophenyl) 4-methylbenzoate?
The IUPAC name of (2,4-difluorophenyl) 4-methylbenzoate (CID 23391162) is (2,4-difluorophenyl) 4-methylbenzoate.
What is the SMILES notation for (2,4-difluorophenyl) 4-methylbenzoate?
The canonical SMILES for (2,4-difluorophenyl) 4-methylbenzoate is Cc1ccc(C(=O)Oc2ccc(F)cc2F)cc1.
What is the InChIKey of (2,4-difluorophenyl) 4-methylbenzoate?
The InChIKey is WXJMUDPGHXQKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-9-2-4-10(5-3-9)14(17)18-13-7-6-11(15)8-12(13)16/h2-8H,1H3.
What are the key properties of (2,4-difluorophenyl) 4-methylbenzoate?
(2,4-difluorophenyl) 4-methylbenzoate has a molecular weight of 248.23 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl) 4-methylbenzoate is sourced from PubChem (CID 23391162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).