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

C12H16N4O — CID 155675457

IUPAC1-[2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
SMILESCCCCC(O)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C12H16N4O/c1-2-3-8-11(17)9-6-4-5-7-10(9)12-13-15-16-14-12/h4-7,11,17H,2-3,8H2,1H3,(H,13,14,15,16)
InChIKeyAVSPLYQUXHRKEG-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.09
Rot. Bonds5

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

1-[2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol (PubChem CID 155675457) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name1-[2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
PubChem CID155675457
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
SMILESCCCCC(O)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C12H16N4O/c1-2-3-8-11(17)9-6-4-5-7-10(9)12-13-15-16-14-12/h4-7,11,17H,2-3,8H2,1H3,(H,13,14,15,16)
InChIKeyAVSPLYQUXHRKEG-UHFFFAOYSA-N
XLogP2.09
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2'-(1H-Tetrazol-5-yl)biphenyl-4-yl)methanol
CID 11507097
1-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
CID 155675476
4-(1H-Tetrazol-5-YL)benzyl alcohol
CID 22633334
[3-(2H-tetrazol-5-yl)phenyl]methanol
CID 23437784
Anti-apoptotic agent 1
CID 155675449
1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol
CID 155675459
1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
CID 155675464
1-[2-(2H-tetrazol-5-yl)phenyl]butan-1-ol
CID 155675470
1-[2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol
CID 155675478
1-[5-bromo-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
CID 163289302
1-[2-(2-Methyltetrazol-5-yl)phenyl]pentan-1-ol
CID 177642426
1-[4-(cyclohexen-1-yl)-2-(2H-tetrazol-5-yl)phenyl]butan-1-ol
CID 177643783

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol?
The IUPAC name of 1-[2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol (CID 155675457) is 1-[2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol.
What is the SMILES notation for 1-[2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol?
The canonical SMILES for 1-[2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol is CCCCC(O)c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 1-[2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol?
The InChIKey is AVSPLYQUXHRKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-3-8-11(17)9-6-4-5-7-10(9)12-13-15-16-14-12/h4-7,11,17H,2-3,8H2,1H3,(H,13,14,15,16).
What are the key properties of 1-[2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol?
1-[2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol has a molecular weight of 232.29 g/mol, XLogP of 2.09, 5 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]pentan-1-ol is sourced from PubChem (CID 155675457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).