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

C16H16N4O — CID 10826599

IUPAC3-[5-(4-phenylphenyl)tetrazol-2-yl]propan-1-ol
SMILESOCCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C16H16N4O/c21-12-4-11-20-18-16(17-19-20)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10,21H,4,11-12H2
InChIKeyNMWGICDYNHEGFX-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.39
Rot. Bonds5

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

3-[5-(4-phenylphenyl)tetrazol-2-yl]propan-1-ol (PubChem CID 10826599) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[5-(4-phenylphenyl)tetrazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(4-phenylphenyl)tetrazol-2-yl]propan-1-ol
PubChem CID10826599
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-[5-(4-phenylphenyl)tetrazol-2-yl]propan-1-ol
SMILESOCCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C16H16N4O/c21-12-4-11-20-18-16(17-19-20)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10,21H,4,11-12H2
InChIKeyNMWGICDYNHEGFX-UHFFFAOYSA-N
XLogP2.39
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-Isopropyl-phenyl)-tetrazol-2-yl]-propionic acid
CID 651433
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
7-(5-Biphenyl-4-yl-tetrazol-2-yl)-heptanenitrile
CID 10830358
2-(4-methylbenzyl)-5-(2-methylphenyl)-2H-tetrazole
CID 2222580
6-(5-Biphenyl-4-yl-tetrazol-2-yl)-hexan-1-ol
CID 10639587
alpha-Methyl-5-phenyl-2H-tetrazole-2-ethanol
CID 13290936
4-(5-Phenyltetrazol-2-yl)butan-2-ol
CID 104318491

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-phenylphenyl)tetrazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-(4-phenylphenyl)tetrazol-2-yl]propan-1-ol (CID 10826599) is 3-[5-(4-phenylphenyl)tetrazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(4-phenylphenyl)tetrazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-(4-phenylphenyl)tetrazol-2-yl]propan-1-ol is OCCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 3-[5-(4-phenylphenyl)tetrazol-2-yl]propan-1-ol?
The InChIKey is NMWGICDYNHEGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-12-4-11-20-18-16(17-19-20)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10,21H,4,11-12H2.
What are the key properties of 3-[5-(4-phenylphenyl)tetrazol-2-yl]propan-1-ol?
3-[5-(4-phenylphenyl)tetrazol-2-yl]propan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-phenylphenyl)tetrazol-2-yl]propan-1-ol is sourced from PubChem (CID 10826599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).