(4-fluorophenyl) 3,4,5-triethoxybenzoate

C19H21FO5 — CID 733867

IUPAC(4-fluorophenyl) 3,4,5-triethoxybenzoate
SMILESCCOc1cc(C(=O)Oc2ccc(F)cc2)cc(OCC)c1OCC
InChIInChI=1S/C19H21FO5/c1-4-22-16-11-13(12-17(23-5-2)18(16)24-6-3)19(21)25-15-9-7-14(20)8-10-15/h7-12H,4-6H2,1-3H3
InChIKeyCIODWLPMANNTGC-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.24
Rot. Bonds8

About (4-fluorophenyl) 3,4,5-triethoxybenzoate

(4-fluorophenyl) 3,4,5-triethoxybenzoate (PubChem CID 733867) has the molecular formula C19H21FO5 and a molecular weight of 348.37 g/mol. Its IUPAC name is (4-fluorophenyl) 3,4,5-triethoxybenzoate.

Molecular Properties

Compound Name(4-fluorophenyl) 3,4,5-triethoxybenzoate
PubChem CID733867
Molecular FormulaC19H21FO5
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name(4-fluorophenyl) 3,4,5-triethoxybenzoate
SMILESCCOc1cc(C(=O)Oc2ccc(F)cc2)cc(OCC)c1OCC
InChIInChI=1S/C19H21FO5/c1-4-22-16-11-13(12-17(23-5-2)18(16)24-6-3)19(21)25-15-9-7-14(20)8-10-15/h7-12H,4-6H2,1-3H3
InChIKeyCIODWLPMANNTGC-UHFFFAOYSA-N
XLogP4.24
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(1,3-dioxoisoindol-2-yl)phenyl] 3,4,5-triethoxybenzoate
CID 19181569
[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 3,4,5-triethoxybenzoate
CID 19181567
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3,4,5-triethoxybenzoate
CID 1409537
3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 7696716
bis(4-fluorophenyl) benzene-1,3-dicarboxylate
CID 1116137
(2-bromo-6-ethoxy-4-formylphenyl) 4-fluorobenzoate
CID 4766712
(2-chloro-4-cyano-6-ethoxyphenyl) 4-fluorobenzoate
CID 8624270
(4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate
CID 67467540
(4-fluorophenyl) 4-[(E)-but-2-enoxy]benzoate
CID 67806793
3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 43002106
ethyl 2-oxo-7-(3,4,5-triethoxybenzoyl)oxychromene-3-carboxylate
CID 19181570
(2-amino-2-oxoethyl) 3,4,5-triethoxybenzoate
CID 2363630

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 3,4,5-triethoxybenzoate?
The IUPAC name of (4-fluorophenyl) 3,4,5-triethoxybenzoate (CID 733867) is (4-fluorophenyl) 3,4,5-triethoxybenzoate.
What is the SMILES notation for (4-fluorophenyl) 3,4,5-triethoxybenzoate?
The canonical SMILES for (4-fluorophenyl) 3,4,5-triethoxybenzoate is CCOc1cc(C(=O)Oc2ccc(F)cc2)cc(OCC)c1OCC.
What is the InChIKey of (4-fluorophenyl) 3,4,5-triethoxybenzoate?
The InChIKey is CIODWLPMANNTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO5/c1-4-22-16-11-13(12-17(23-5-2)18(16)24-6-3)19(21)25-15-9-7-14(20)8-10-15/h7-12H,4-6H2,1-3H3.
What are the key properties of (4-fluorophenyl) 3,4,5-triethoxybenzoate?
(4-fluorophenyl) 3,4,5-triethoxybenzoate has a molecular weight of 348.37 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 3,4,5-triethoxybenzoate is sourced from PubChem (CID 733867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).