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

C13H18N4O — CID 155675478

IUPAC1-[2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol
SMILESCCCCCC(O)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C13H18N4O/c1-2-3-4-9-12(18)10-7-5-6-8-11(10)13-14-16-17-15-13/h5-8,12,18H,2-4,9H2,1H3,(H,14,15,16,17)
InChIKeyZHXYOQVVYYGENZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.48
Rot. Bonds6

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

1-[2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol (PubChem CID 155675478) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol.

Molecular Properties

Compound Name1-[2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol
PubChem CID155675478
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol
SMILESCCCCCC(O)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C13H18N4O/c1-2-3-4-9-12(18)10-7-5-6-8-11(10)13-14-16-17-15-13/h5-8,12,18H,2-4,9H2,1H3,(H,14,15,16,17)
InChIKeyZHXYOQVVYYGENZ-UHFFFAOYSA-N
XLogP2.48
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-[2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
CID 155675457
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-[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]hexan-1-ol?
The IUPAC name of 1-[2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol (CID 155675478) is 1-[2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol.
What is the SMILES notation for 1-[2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol?
The canonical SMILES for 1-[2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol is CCCCCC(O)c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 1-[2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol?
The InChIKey is ZHXYOQVVYYGENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-3-4-9-12(18)10-7-5-6-8-11(10)13-14-16-17-15-13/h5-8,12,18H,2-4,9H2,1H3,(H,14,15,16,17).
What are the key properties of 1-[2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol?
1-[2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 2.48, 6 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]hexan-1-ol is sourced from PubChem (CID 155675478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).