3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol

C13H18N4O2 — CID 84759531

IUPAC3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol
SMILESCC(C)Oc1ccc(-c2nnnn2CCCO)cc1
InChIInChI=1S/C13H18N4O2/c1-10(2)19-12-6-4-11(5-7-12)13-14-15-16-17(13)8-3-9-18/h4-7,10,18H,3,8-9H2,1-2H3
InChIKeyLNYLSFYTJPJIOS-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.51
Rot. Bonds6

About 3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol

3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol (PubChem CID 84759531) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol
PubChem CID84759531
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol
SMILESCC(C)Oc1ccc(-c2nnnn2CCCO)cc1
InChIInChI=1S/C13H18N4O2/c1-10(2)19-12-6-4-11(5-7-12)13-14-15-16-17(13)8-3-9-18/h4-7,10,18H,3,8-9H2,1-2H3
InChIKeyLNYLSFYTJPJIOS-UHFFFAOYSA-N
XLogP1.51
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol
CID 84759515
3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol
CID 84759516
6-[5-(4-methylphenyl)tetrazol-1-yl]hexanoic acid
CID 82226289
3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66045094
3-[5-(furan-2-yl)tetrazol-1-yl]propan-1-ol
CID 84759555
3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine
CID 84758929
2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine
CID 61375782
3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine
CID 61374258
4-[5-(4-ethylphenyl)tetrazol-1-yl]butanoic acid
CID 66044129
copper;3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 70633990
4-[5-(4-chlorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541235

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol (CID 84759531) is 3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol is CC(C)Oc1ccc(-c2nnnn2CCCO)cc1.
What is the InChIKey of 3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol?
The InChIKey is LNYLSFYTJPJIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10(2)19-12-6-4-11(5-7-12)13-14-15-16-17(13)8-3-9-18/h4-7,10,18H,3,8-9H2,1-2H3.
What are the key properties of 3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol?
3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol has a molecular weight of 262.31 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol is sourced from PubChem (CID 84759531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).