(3-methylphenyl) 2-(4-fluorophenyl)acetate

C15H13FO2 — CID 673749

IUPAC(3-methylphenyl) 2-(4-fluorophenyl)acetate
SMILESCc1cccc(OC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H13FO2/c1-11-3-2-4-14(9-11)18-15(17)10-12-5-7-13(16)8-6-12/h2-9H,10H2,1H3
InChIKeySOCJYTDORCVBJR-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.28
Rot. Bonds3

About (3-methylphenyl) 2-(4-fluorophenyl)acetate

(3-methylphenyl) 2-(4-fluorophenyl)acetate (PubChem CID 673749) has the molecular formula C15H13FO2 and a molecular weight of 244.27 g/mol. Its IUPAC name is (3-methylphenyl) 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name(3-methylphenyl) 2-(4-fluorophenyl)acetate
PubChem CID673749
Molecular FormulaC15H13FO2
Molecular Weight244.27 g/mol
Exact Mass244.09
IUPAC Name(3-methylphenyl) 2-(4-fluorophenyl)acetate
SMILESCc1cccc(OC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H13FO2/c1-11-3-2-4-14(9-11)18-15(17)10-12-5-7-13(16)8-6-12/h2-9H,10H2,1H3
InChIKeySOCJYTDORCVBJR-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 9793908

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) 2-(4-fluorophenyl)acetate?
The IUPAC name of (3-methylphenyl) 2-(4-fluorophenyl)acetate (CID 673749) is (3-methylphenyl) 2-(4-fluorophenyl)acetate.
What is the SMILES notation for (3-methylphenyl) 2-(4-fluorophenyl)acetate?
The canonical SMILES for (3-methylphenyl) 2-(4-fluorophenyl)acetate is Cc1cccc(OC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of (3-methylphenyl) 2-(4-fluorophenyl)acetate?
The InChIKey is SOCJYTDORCVBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-11-3-2-4-14(9-11)18-15(17)10-12-5-7-13(16)8-6-12/h2-9H,10H2,1H3.
What are the key properties of (3-methylphenyl) 2-(4-fluorophenyl)acetate?
(3-methylphenyl) 2-(4-fluorophenyl)acetate has a molecular weight of 244.27 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 673749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).