3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate

C22H19FO4 — CID 7209395

IUPAC3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate
SMILESO=C(OCCCOc1ccc(F)cc1)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C22H19FO4/c23-19-8-12-21(13-9-19)26-14-1-15-27-22(25)18-4-2-16(3-5-18)17-6-10-20(24)11-7-17/h2-13,24H,1,14-15H2
InChIKeyCZQMHGQINNBOSI-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.82
Rot. Bonds7

About 3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate

3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate (PubChem CID 7209395) has the molecular formula C22H19FO4 and a molecular weight of 366.39 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate
PubChem CID7209395
Molecular FormulaC22H19FO4
Molecular Weight366.39 g/mol
Exact Mass366.13
IUPAC Name3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate
SMILESO=C(OCCCOc1ccc(F)cc1)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C22H19FO4/c23-19-8-12-21(13-9-19)26-14-1-15-27-22(25)18-4-2-16(3-5-18)17-6-10-20(24)11-7-17/h2-13,24H,1,14-15H2
InChIKeyCZQMHGQINNBOSI-UHFFFAOYSA-N
XLogP4.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate 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 3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of 3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate (CID 7209395) is 3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for 3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for 3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate is O=C(OCCCOc1ccc(F)cc1)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate?
The InChIKey is CZQMHGQINNBOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FO4/c23-19-8-12-21(13-9-19)26-14-1-15-27-22(25)18-4-2-16(3-5-18)17-6-10-20(24)11-7-17/h2-13,24H,1,14-15H2.
What are the key properties of 3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate?
3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate has a molecular weight of 366.39 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)propyl 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 7209395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).