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

C11H14N4O — CID 122181378

IUPAC1-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
SMILESCc1ccc(-c2nnn(CC(C)O)n2)cc1
InChIInChI=1S/C11H14N4O/c1-8-3-5-10(6-4-8)11-12-14-15(13-11)7-9(2)16/h3-6,9,16H,7H2,1-2H3
InChIKeyWICWZQHFBZTFJU-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.03
Rot. Bonds3

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

1-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol (PubChem CID 122181378) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
PubChem CID122181378
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol
SMILESCc1ccc(-c2nnn(CC(C)O)n2)cc1
InChIInChI=1S/C11H14N4O/c1-8-3-5-10(6-4-8)11-12-14-15(13-11)7-9(2)16/h3-6,9,16H,7H2,1-2H3
InChIKeyWICWZQHFBZTFJU-UHFFFAOYSA-N
XLogP1.03
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol?
The IUPAC name of 1-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol (CID 122181378) is 1-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol.
What is the SMILES notation for 1-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol?
The canonical SMILES for 1-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol is Cc1ccc(-c2nnn(CC(C)O)n2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol?
The InChIKey is WICWZQHFBZTFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-3-5-10(6-4-8)11-12-14-15(13-11)7-9(2)16/h3-6,9,16H,7H2,1-2H3.
What are the key properties of 1-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol?
1-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol has a molecular weight of 218.26 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)tetrazol-2-yl]propan-2-ol is sourced from PubChem (CID 122181378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).