6-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-1-ol

C19H22N4O — CID 10639587

IUPAC6-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-1-ol
SMILESOCCCCCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C19H22N4O/c24-15-7-2-1-6-14-23-21-19(20-22-23)18-12-10-17(11-13-18)16-8-4-3-5-9-16/h3-5,8-13,24H,1-2,6-7,14-15H2
InChIKeyKKRBQCLHDJIEFY-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.56
Rot. Bonds8

About 6-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-1-ol

6-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-1-ol (PubChem CID 10639587) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-1-ol
PubChem CID10639587
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name6-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-1-ol
SMILESOCCCCCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C19H22N4O/c24-15-7-2-1-6-14-23-21-19(20-22-23)18-12-10-17(11-13-18)16-8-4-3-5-9-16/h3-5,8-13,24H,1-2,6-7,14-15H2
InChIKeyKKRBQCLHDJIEFY-UHFFFAOYSA-N
XLogP3.56
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-Biphenyl-4-yl-tetrazol-2-yl)-ethanol
CID 10659394
3-(5-Biphenyl-4-yl-tetrazol-2-yl)-propionitrile
CID 10802348
2-(5-phenyl-2H-tetrazol-2-yl)ethanol
CID 583007
5-(5-Biphenyl-4-yl-tetrazol-2-yl)-pentanenitrile
CID 10638164
4-(5-Biphenyl-4-yl-tetrazol-2-yl)-butan-1-ol
CID 10732555
4-(5-Biphenyl-4-yl-tetrazol-2-yl)-butyronitrile
CID 10755867
3-(5-Biphenyl-4-yl-tetrazol-2-yl)-propan-1-ol
CID 10826599
7-(5-Biphenyl-4-yl-tetrazol-2-yl)-heptanenitrile
CID 10830358
2-(4-methylbenzyl)-5-(2-methylphenyl)-2H-tetrazole
CID 2222580
4-(5-Phenyltetrazol-2-yl)butan-2-ol
CID 104318491
4-[5-(4-Methylphenyl)tetrazol-2-yl]butan-2-ol
CID 122181376
1-[5-(4-Methylphenyl)tetrazol-2-yl]propan-2-ol
CID 122181378

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-1-ol?
The IUPAC name of 6-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-1-ol (CID 10639587) is 6-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-1-ol.
What is the SMILES notation for 6-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-1-ol?
The canonical SMILES for 6-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-1-ol is OCCCCCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 6-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-1-ol?
The InChIKey is KKRBQCLHDJIEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-15-7-2-1-6-14-23-21-19(20-22-23)18-12-10-17(11-13-18)16-8-4-3-5-9-16/h3-5,8-13,24H,1-2,6-7,14-15H2.
What are the key properties of 6-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-1-ol?
6-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-1-ol has a molecular weight of 322.41 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-phenylphenyl)tetrazol-2-yl]hexan-1-ol is sourced from PubChem (CID 10639587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).