5-(5-methyltetrazol-2-yl)-2-propan-2-ylphenol

C11H14N4O — CID 167368942

IUPAC5-(5-methyltetrazol-2-yl)-2-propan-2-ylphenol
SMILESCc1nnn(-c2ccc(C(C)C)c(O)c2)n1
InChIInChI=1S/C11H14N4O/c1-7(2)10-5-4-9(6-11(10)16)15-13-8(3)12-14-15/h4-7,16H,1-3H3
InChIKeyKIJBWHBMFZUGJR-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.80
Rot. Bonds2

About 5-(5-methyltetrazol-2-yl)-2-propan-2-ylphenol

5-(5-methyltetrazol-2-yl)-2-propan-2-ylphenol (PubChem CID 167368942) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(5-methyltetrazol-2-yl)-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-(5-methyltetrazol-2-yl)-2-propan-2-ylphenol
PubChem CID167368942
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-(5-methyltetrazol-2-yl)-2-propan-2-ylphenol
SMILESCc1nnn(-c2ccc(C(C)C)c(O)c2)n1
InChIInChI=1S/C11H14N4O/c1-7(2)10-5-4-9(6-11(10)16)15-13-8(3)12-14-15/h4-7,16H,1-3H3
InChIKeyKIJBWHBMFZUGJR-UHFFFAOYSA-N
XLogP1.80
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyltetrazol-2-yl)-2-propan-2-ylphenol?
The IUPAC name of 5-(5-methyltetrazol-2-yl)-2-propan-2-ylphenol (CID 167368942) is 5-(5-methyltetrazol-2-yl)-2-propan-2-ylphenol.
What is the SMILES notation for 5-(5-methyltetrazol-2-yl)-2-propan-2-ylphenol?
The canonical SMILES for 5-(5-methyltetrazol-2-yl)-2-propan-2-ylphenol is Cc1nnn(-c2ccc(C(C)C)c(O)c2)n1.
What is the InChIKey of 5-(5-methyltetrazol-2-yl)-2-propan-2-ylphenol?
The InChIKey is KIJBWHBMFZUGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7(2)10-5-4-9(6-11(10)16)15-13-8(3)12-14-15/h4-7,16H,1-3H3.
What are the key properties of 5-(5-methyltetrazol-2-yl)-2-propan-2-ylphenol?
5-(5-methyltetrazol-2-yl)-2-propan-2-ylphenol has a molecular weight of 218.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyltetrazol-2-yl)-2-propan-2-ylphenol is sourced from PubChem (CID 167368942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).