3-(4-fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate

C17H15FN4O3 — CID 7500723

IUPAC3-(4-fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate
SMILESO=C(OCCCOc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H15FN4O3/c18-14-4-8-16(9-5-14)24-10-1-11-25-17(23)13-2-6-15(7-3-13)22-12-19-20-21-22/h2-9,12H,1,10-11H2
InChIKeyVGASVMFEZPFTLJ-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.43
Rot. Bonds7

About 3-(4-fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate

3-(4-fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate (PubChem CID 7500723) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name3-(4-fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate
PubChem CID7500723
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name3-(4-fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate
SMILESO=C(OCCCOc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H15FN4O3/c18-14-4-8-16(9-5-14)24-10-1-11-25-17(23)13-2-6-15(7-3-13)22-12-19-20-21-22/h2-9,12H,1,10-11H2
InChIKeyVGASVMFEZPFTLJ-UHFFFAOYSA-N
XLogP2.43
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
CID 764196
N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
CID 747770
Cyclohexanecarboxylic acid 3-tetrazol-1-yl-phenyl ester
CID 647260
4-(1H-tetraazol-1-yl)phenyl benzoate
CID 856197
ethyl 4-({[4-(1H-tetrazol-1-yl)phenoxy]acetyl}amino)benzoate
CID 1259832
Methyl 5-[[4-(tetrazol-1-yl)benzoyl]oxymethyl]furan-2-carboxylate
CID 2570777
3-(1H-tetraazol-1-yl)phenyl 4-methylbenzoate
CID 856194
[3-(Tetrazol-1-yl)phenyl] 2-chlorobenzoate
CID 856195
[2-(4-Ethoxyphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 8351751
Methyl 4-{2-[3-(1H-1,2,3,4-tetrazol-1-YL)phenoxy]acetamido}benzoate
CID 11405500
4-[[2-[4-(Tetrazol-1-yl)phenoxy]acetyl]amino]benzamide
CID 4844830
4-Tetrazol-1-yl-benzoic acid phenyl ester
CID 646598

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate?
The IUPAC name of 3-(4-fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate (CID 7500723) is 3-(4-fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate.
What is the SMILES notation for 3-(4-fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate?
The canonical SMILES for 3-(4-fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate is O=C(OCCCOc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate?
The InChIKey is VGASVMFEZPFTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c18-14-4-8-16(9-5-14)24-10-1-11-25-17(23)13-2-6-15(7-3-13)22-12-19-20-21-22/h2-9,12H,1,10-11H2.
What are the key properties of 3-(4-fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate?
3-(4-fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate has a molecular weight of 342.33 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)propyl 4-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 7500723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).