1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol

C11H14N4O — CID 155675470

IUPAC1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol
SMILESCCCC(O)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C11H14N4O/c1-2-5-10(16)8-6-3-4-7-9(8)11-12-14-15-13-11/h3-4,6-7,10,16H,2,5H2,1H3,(H,12,13,14,15)
InChIKeyLAXASHWYFSCETM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.70
Rot. Bonds4

About 1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol

1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol (PubChem CID 155675470) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol.

Molecular Properties

Compound Name1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol
PubChem CID155675470
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol
SMILESCCCC(O)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C11H14N4O/c1-2-5-10(16)8-6-3-4-7-9(8)11-12-14-15-13-11/h3-4,6-7,10,16H,2,5H2,1H3,(H,12,13,14,15)
InChIKeyLAXASHWYFSCETM-UHFFFAOYSA-N
XLogP1.70
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol?
The IUPAC name of 1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol (CID 155675470) is 1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol.
What is the SMILES notation for 1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol?
The canonical SMILES for 1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol is CCCC(O)c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol?
The InChIKey is LAXASHWYFSCETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-5-10(16)8-6-3-4-7-9(8)11-12-14-15-13-11/h3-4,6-7,10,16H,2,5H2,1H3,(H,12,13,14,15).
What are the key properties of 1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol?
1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol has a molecular weight of 218.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol is sourced from PubChem (CID 155675470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).