1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol

C14H20N4O2 — CID 121300521

IUPAC1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(C(C)(C)C)cc1-n1cnnn1
InChIInChI=1S/C14H20N4O2/c1-10(19)8-20-13-6-5-11(14(2,3)4)7-12(13)18-9-15-16-17-18/h5-7,9-10,19H,8H2,1-4H3
InChIKeyPYFQZINHLJRDFT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.72
Rot. Bonds4

About 1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol

1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol (PubChem CID 121300521) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol
PubChem CID121300521
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(C(C)(C)C)cc1-n1cnnn1
InChIInChI=1S/C14H20N4O2/c1-10(19)8-20-13-6-5-11(14(2,3)4)7-12(13)18-9-15-16-17-18/h5-7,9-10,19H,8H2,1-4H3
InChIKeyPYFQZINHLJRDFT-UHFFFAOYSA-N
XLogP1.72
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol (CID 121300521) is 1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol is CC(O)COc1ccc(C(C)(C)C)cc1-n1cnnn1.
What is the InChIKey of 1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol?
The InChIKey is PYFQZINHLJRDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(19)8-20-13-6-5-11(14(2,3)4)7-12(13)18-9-15-16-17-18/h5-7,9-10,19H,8H2,1-4H3.
What are the key properties of 1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol?
1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol has a molecular weight of 276.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 121300521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).