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

C12H16N4O — CID 122181376

IUPAC4-[5-(4-methylphenyl)tetrazol-2-yl]butan-2-ol
SMILESCc1ccc(-c2nnn(CCC(C)O)n2)cc1
InChIInChI=1S/C12H16N4O/c1-9-3-5-11(6-4-9)12-13-15-16(14-12)8-7-10(2)17/h3-6,10,17H,7-8H2,1-2H3
InChIKeyLMBFOQGCRBWCPD-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.42
Rot. Bonds4

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

4-[5-(4-methylphenyl)tetrazol-2-yl]butan-2-ol (PubChem CID 122181376) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[5-(4-methylphenyl)tetrazol-2-yl]butan-2-ol.

Molecular Properties

Compound Name4-[5-(4-methylphenyl)tetrazol-2-yl]butan-2-ol
PubChem CID122181376
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-[5-(4-methylphenyl)tetrazol-2-yl]butan-2-ol
SMILESCc1ccc(-c2nnn(CCC(C)O)n2)cc1
InChIInChI=1S/C12H16N4O/c1-9-3-5-11(6-4-9)12-13-15-16(14-12)8-7-10(2)17/h3-6,10,17H,7-8H2,1-2H3
InChIKeyLMBFOQGCRBWCPD-UHFFFAOYSA-N
XLogP1.42
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{5-[4-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}acetone
CID 2739047
2-(5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl)acetic acid
CID 701825
2H-Tetrazole, 2-ethyl-5-phenyl-
CID 14524424
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-phenyl-2H-tetraazol-2-yl)propanoic acid
CID 845287
2h-Tetrazole-2-ethanol, 5-phenyl-
CID 583007
2-Methyl-5-phenyl-2H-tetrazole
CID 329758
3-(5-p-Tolyl-tetrazol-2-yl)-propionic acid methyl ester
CID 654834
4-(5-Biphenyl-4-yl-tetrazol-2-yl)-butan-1-ol
CID 10732555
3-(5-Biphenyl-4-yl-tetrazol-2-yl)-propan-1-ol
CID 10826599
3-(5-p-Tolyl-tetrazol-2-yl)-propionic acid
CID 860830

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylphenyl)tetrazol-2-yl]butan-2-ol?
The IUPAC name of 4-[5-(4-methylphenyl)tetrazol-2-yl]butan-2-ol (CID 122181376) is 4-[5-(4-methylphenyl)tetrazol-2-yl]butan-2-ol.
What is the SMILES notation for 4-[5-(4-methylphenyl)tetrazol-2-yl]butan-2-ol?
The canonical SMILES for 4-[5-(4-methylphenyl)tetrazol-2-yl]butan-2-ol is Cc1ccc(-c2nnn(CCC(C)O)n2)cc1.
What is the InChIKey of 4-[5-(4-methylphenyl)tetrazol-2-yl]butan-2-ol?
The InChIKey is LMBFOQGCRBWCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-3-5-11(6-4-9)12-13-15-16(14-12)8-7-10(2)17/h3-6,10,17H,7-8H2,1-2H3.
What are the key properties of 4-[5-(4-methylphenyl)tetrazol-2-yl]butan-2-ol?
4-[5-(4-methylphenyl)tetrazol-2-yl]butan-2-ol has a molecular weight of 232.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenyl)tetrazol-2-yl]butan-2-ol is sourced from PubChem (CID 122181376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).