(4-fluorophenyl) 4-methylbenzoate

C14H11FO2 — CID 733902

IUPAC(4-fluorophenyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C14H11FO2/c1-10-2-4-11(5-3-10)14(16)17-13-8-6-12(15)7-9-13/h2-9H,1H3
InChIKeyFUGVFVDWNJQJOC-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.35
Rot. Bonds2

About (4-fluorophenyl) 4-methylbenzoate

(4-fluorophenyl) 4-methylbenzoate (PubChem CID 733902) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is (4-fluorophenyl) 4-methylbenzoate.

Molecular Properties

Compound Name(4-fluorophenyl) 4-methylbenzoate
PubChem CID733902
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Name(4-fluorophenyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C14H11FO2/c1-10-2-4-11(5-3-10)14(16)17-13-8-6-12(15)7-9-13/h2-9H,1H3
InChIKeyFUGVFVDWNJQJOC-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 4-methylbenzoate?
The IUPAC name of (4-fluorophenyl) 4-methylbenzoate (CID 733902) is (4-fluorophenyl) 4-methylbenzoate.
What is the SMILES notation for (4-fluorophenyl) 4-methylbenzoate?
The canonical SMILES for (4-fluorophenyl) 4-methylbenzoate is Cc1ccc(C(=O)Oc2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl) 4-methylbenzoate?
The InChIKey is FUGVFVDWNJQJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c1-10-2-4-11(5-3-10)14(16)17-13-8-6-12(15)7-9-13/h2-9H,1H3.
What are the key properties of (4-fluorophenyl) 4-methylbenzoate?
(4-fluorophenyl) 4-methylbenzoate has a molecular weight of 230.24 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 4-methylbenzoate is sourced from PubChem (CID 733902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).