2,4-bis(tetrazol-1-yl)phenol

C8H6N8O — CID 29060335

IUPAC2,4-bis(tetrazol-1-yl)phenol
SMILESOc1ccc(-n2cnnn2)cc1-n1cnnn1
InChIInChI=1S/C8H6N8O/c17-8-2-1-6(15-4-9-11-13-15)3-7(8)16-5-10-12-14-16/h1-5,17H
InChIKeyDBEGHQUYOXGNSP-UHFFFAOYSA-N
MW230.19 g/mol
LogP-0.66
Rot. Bonds2

About 2,4-bis(tetrazol-1-yl)phenol

2,4-bis(tetrazol-1-yl)phenol (PubChem CID 29060335) has the molecular formula C8H6N8O and a molecular weight of 230.19 g/mol. Its IUPAC name is 2,4-bis(tetrazol-1-yl)phenol.

Molecular Properties

Compound Name2,4-bis(tetrazol-1-yl)phenol
PubChem CID29060335
Molecular FormulaC8H6N8O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name2,4-bis(tetrazol-1-yl)phenol
SMILESOc1ccc(-n2cnnn2)cc1-n1cnnn1
InChIInChI=1S/C8H6N8O/c17-8-2-1-6(15-4-9-11-13-15)3-7(8)16-5-10-12-14-16/h1-5,17H
InChIKeyDBEGHQUYOXGNSP-UHFFFAOYSA-N
XLogP-0.66
TPSA107.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-hydroxy-5-(tetrazol-1-yl)benzoic acid
CID 3136529
2-hydroxy-4-(tetrazol-1-yl)benzoic acid
CID 855909
4-(tetrazol-1-yl)phenolate
CID 101371881
1-(4-fluorophenyl)tetrazole
CID 825628
[4-(tetrazol-1-yl)phenyl]methanol
CID 67038028
1-(4-chloro-3-fluorophenyl)tetrazole
CID 91105491
2-(4-bromopyrazol-1-yl)-4-(tetrazol-1-yl)benzoic acid
CID 16767448
2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 135653875
[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone
CID 91797211
4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 103947423
4-(tetrazol-1-yl)benzenesulfonamide
CID 1239248
4-(tetrazol-1-yl)benzaldehyde
CID 55266152

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(tetrazol-1-yl)phenol?
The IUPAC name of 2,4-bis(tetrazol-1-yl)phenol (CID 29060335) is 2,4-bis(tetrazol-1-yl)phenol.
What is the SMILES notation for 2,4-bis(tetrazol-1-yl)phenol?
The canonical SMILES for 2,4-bis(tetrazol-1-yl)phenol is Oc1ccc(-n2cnnn2)cc1-n1cnnn1.
What is the InChIKey of 2,4-bis(tetrazol-1-yl)phenol?
The InChIKey is DBEGHQUYOXGNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N8O/c17-8-2-1-6(15-4-9-11-13-15)3-7(8)16-5-10-12-14-16/h1-5,17H.
What are the key properties of 2,4-bis(tetrazol-1-yl)phenol?
2,4-bis(tetrazol-1-yl)phenol has a molecular weight of 230.19 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(tetrazol-1-yl)phenol is sourced from PubChem (CID 29060335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).