5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde

C12H8N4O2 — CID 135187584

IUPAC5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3nn[nH]n3)cc2)o1
InChIInChI=1S/C12H8N4O2/c17-7-10-5-6-11(18-10)8-1-3-9(4-2-8)12-13-15-16-14-12/h1-7H,(H,13,14,15,16)
InChIKeyOQHNYIMMEUDZJS-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.94
Rot. Bonds3

About 5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde

5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde (PubChem CID 135187584) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde
PubChem CID135187584
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3nn[nH]n3)cc2)o1
InChIInChI=1S/C12H8N4O2/c17-7-10-5-6-11(18-10)8-1-3-9(4-2-8)12-13-15-16-14-12/h1-7H,(H,13,14,15,16)
InChIKeyOQHNYIMMEUDZJS-UHFFFAOYSA-N
XLogP1.94
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(5-formylfuran-2-yl)benzenecarbothioamide
CID 169331842
5-(4-sulfanylphenyl)furan-2-carbaldehyde
CID 169336212
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169334900
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
5-(4-ethylphenyl)furan-2-carbaldehyde;methanol
CID 142207596
5-[4-(1-methylpyrazol-4-yl)phenyl]furan-2-carbaldehyde
CID 169332573
5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
CID 4674822
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
5-(4-propylsulfanylphenyl)furan-2-carbaldehyde
CID 169333150
5-(5-formylfuran-2-yl)pyridine-3-carbaldehyde
CID 165454352

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde (CID 135187584) is 5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(-c3nn[nH]n3)cc2)o1.
What is the InChIKey of 5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde?
The InChIKey is OQHNYIMMEUDZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-7-10-5-6-11(18-10)8-1-3-9(4-2-8)12-13-15-16-14-12/h1-7H,(H,13,14,15,16).
What are the key properties of 5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde?
5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde has a molecular weight of 240.22 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 135187584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).