4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol

C19H13FN4O2 — CID 136929552

IUPAC4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol
SMILESOc1cc(-c2ccc(F)cc2)c(-c2ccc(-c3nn[nH]n3)cc2)cc1O
InChIInChI=1S/C19H13FN4O2/c20-14-7-5-12(6-8-14)16-10-18(26)17(25)9-15(16)11-1-3-13(4-2-11)19-21-23-24-22-19/h1-10,25-26H,(H,21,22,23,24)
InChIKeyOMZZHXVCRSCVDU-UHFFFAOYSA-N
MW348.34 g/mol
LogP3.75
Rot. Bonds3

About 4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol

4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol (PubChem CID 136929552) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol
PubChem CID136929552
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC Name4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol
SMILESOc1cc(-c2ccc(F)cc2)c(-c2ccc(-c3nn[nH]n3)cc2)cc1O
InChIInChI=1S/C19H13FN4O2/c20-14-7-5-12(6-8-14)16-10-18(26)17(25)9-15(16)11-1-3-13(4-2-11)19-21-23-24-22-19/h1-10,25-26H,(H,21,22,23,24)
InChIKeyOMZZHXVCRSCVDU-UHFFFAOYSA-N
XLogP3.75
TPSA94.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

CID 175020702
CID 175020702
3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol
CID 137336817
5-(3,4-difluorophenyl)-2H-tetrazole
CID 43658630
2-amino-4-(2H-tetrazol-5-yl)phenol
CID 135648881
2-bromo-4-(2H-tetrazol-5-yl)phenol
CID 135859940
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
5-(4-bromo-3-fluorophenyl)-2H-tetrazole
CID 131599403
5-(2-bromo-5-fluorophenyl)-2H-tetrazole
CID 21069926
2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine
CID 90940369
5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
CID 146430659
2-(2,4-dihydroxyphenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]acetaldehyde
CID 87373419
5-[4-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]-2H-tetrazole
CID 139267181

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol?
The IUPAC name of 4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol (CID 136929552) is 4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol?
The canonical SMILES for 4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol is Oc1cc(-c2ccc(F)cc2)c(-c2ccc(-c3nn[nH]n3)cc2)cc1O.
What is the InChIKey of 4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol?
The InChIKey is OMZZHXVCRSCVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c20-14-7-5-12(6-8-14)16-10-18(26)17(25)9-15(16)11-1-3-13(4-2-11)19-21-23-24-22-19/h1-10,25-26H,(H,21,22,23,24).
What are the key properties of 4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol?
4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol has a molecular weight of 348.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol is sourced from PubChem (CID 136929552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).