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

C17H18N4O — CID 10732555

IUPAC4-[5-(4-phenylphenyl)tetrazol-2-yl]butan-1-ol
SMILESOCCCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C17H18N4O/c22-13-5-4-12-21-19-17(18-20-21)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11,22H,4-5,12-13H2
InChIKeyLBYCISNWPWLBTD-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.78
Rot. Bonds6

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

4-[5-(4-phenylphenyl)tetrazol-2-yl]butan-1-ol (PubChem CID 10732555) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[5-(4-phenylphenyl)tetrazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name4-[5-(4-phenylphenyl)tetrazol-2-yl]butan-1-ol
PubChem CID10732555
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-[5-(4-phenylphenyl)tetrazol-2-yl]butan-1-ol
SMILESOCCCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C17H18N4O/c22-13-5-4-12-21-19-17(18-20-21)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11,22H,4-5,12-13H2
InChIKeyLBYCISNWPWLBTD-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.78
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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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-phenylphenyl)tetrazol-2-yl]butan-1-ol?
The IUPAC name of 4-[5-(4-phenylphenyl)tetrazol-2-yl]butan-1-ol (CID 10732555) is 4-[5-(4-phenylphenyl)tetrazol-2-yl]butan-1-ol.
What is the SMILES notation for 4-[5-(4-phenylphenyl)tetrazol-2-yl]butan-1-ol?
The canonical SMILES for 4-[5-(4-phenylphenyl)tetrazol-2-yl]butan-1-ol is OCCCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 4-[5-(4-phenylphenyl)tetrazol-2-yl]butan-1-ol?
The InChIKey is LBYCISNWPWLBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-13-5-4-12-21-19-17(18-20-21)16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11,22H,4-5,12-13H2.
What are the key properties of 4-[5-(4-phenylphenyl)tetrazol-2-yl]butan-1-ol?
4-[5-(4-phenylphenyl)tetrazol-2-yl]butan-1-ol has a molecular weight of 294.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-phenylphenyl)tetrazol-2-yl]butan-1-ol is sourced from PubChem (CID 10732555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).