(4-fluorophenyl) 3-methoxybenzoate

C14H11FO3 — CID 734150

IUPAC(4-fluorophenyl) 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2ccc(F)cc2)c1
InChIInChI=1S/C14H11FO3/c1-17-13-4-2-3-10(9-13)14(16)18-12-7-5-11(15)6-8-12/h2-9H,1H3
InChIKeyCZYOUXOSNMEUKB-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.05
Rot. Bonds3

About (4-fluorophenyl) 3-methoxybenzoate

(4-fluorophenyl) 3-methoxybenzoate (PubChem CID 734150) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is (4-fluorophenyl) 3-methoxybenzoate.

Molecular Properties

Compound Name(4-fluorophenyl) 3-methoxybenzoate
PubChem CID734150
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name(4-fluorophenyl) 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2ccc(F)cc2)c1
InChIInChI=1S/C14H11FO3/c1-17-13-4-2-3-10(9-13)14(16)18-12-7-5-11(15)6-8-12/h2-9H,1H3
InChIKeyCZYOUXOSNMEUKB-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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) 3-methoxybenzoate?
The IUPAC name of (4-fluorophenyl) 3-methoxybenzoate (CID 734150) is (4-fluorophenyl) 3-methoxybenzoate.
What is the SMILES notation for (4-fluorophenyl) 3-methoxybenzoate?
The canonical SMILES for (4-fluorophenyl) 3-methoxybenzoate is COc1cccc(C(=O)Oc2ccc(F)cc2)c1.
What is the InChIKey of (4-fluorophenyl) 3-methoxybenzoate?
The InChIKey is CZYOUXOSNMEUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-17-13-4-2-3-10(9-13)14(16)18-12-7-5-11(15)6-8-12/h2-9H,1H3.
What are the key properties of (4-fluorophenyl) 3-methoxybenzoate?
(4-fluorophenyl) 3-methoxybenzoate has a molecular weight of 246.24 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 3-methoxybenzoate is sourced from PubChem (CID 734150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).