3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol

C13H18N4O2 — CID 84759563

IUPAC3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol
SMILESOCCCn1nnnc1CCCOc1ccccc1
InChIInChI=1S/C13H18N4O2/c18-10-5-9-17-13(14-15-16-17)8-4-11-19-12-6-2-1-3-7-12/h1-3,6-7,18H,4-5,8-11H2
InChIKeyURHCDWSYNGESIJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.07
Rot. Bonds8

About 3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol

3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol (PubChem CID 84759563) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol
PubChem CID84759563
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol
SMILESOCCCn1nnnc1CCCOc1ccccc1
InChIInChI=1S/C13H18N4O2/c18-10-5-9-17-13(14-15-16-17)8-4-11-19-12-6-2-1-3-7-12/h1-3,6-7,18H,4-5,8-11H2
InChIKeyURHCDWSYNGESIJ-UHFFFAOYSA-N
XLogP1.07
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid
CID 84759774
5-(chloromethyl)-1-(3-phenoxypropyl)tetrazole
CID 55108949
3-(5-benzyltetrazol-1-yl)propan-1-ol
CID 84759521
3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 81067843
6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one
CID 23454021
2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol
CID 82149283
7-phenoxyheptan-1-ol
CID 15856264
1-butyl-5-(3-phenoxypropyl)-1,2,4-triazole
CID 72937444
3-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]propan-1-ol
CID 84759536
4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid
CID 113269967
3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
CID 84759511
4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline
CID 84759861

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol (CID 84759563) is 3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol is OCCCn1nnnc1CCCOc1ccccc1.
What is the InChIKey of 3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol?
The InChIKey is URHCDWSYNGESIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-10-5-9-17-13(14-15-16-17)8-4-11-19-12-6-2-1-3-7-12/h1-3,6-7,18H,4-5,8-11H2.
What are the key properties of 3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol?
3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol has a molecular weight of 262.31 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol is sourced from PubChem (CID 84759563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).