4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde

C14H12N4O — CID 88946416

IUPAC4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2C2=NNNN2)cc1
InChIInChI=1S/C14H12N4O/c19-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-15-17-18-16-14/h1-9,17-18H,(H,15,16)
InChIKeyNSCMDZITBISFDL-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.44
Rot. Bonds3

About 4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde

4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde (PubChem CID 88946416) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde
PubChem CID88946416
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2C2=NNNN2)cc1
InChIInChI=1S/C14H12N4O/c19-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-15-17-18-16-14/h1-9,17-18H,(H,15,16)
InChIKeyNSCMDZITBISFDL-UHFFFAOYSA-N
XLogP1.44
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde
CID 173044434
4-[2-(5-phenyl-1,2-oxazol-3-yl)phenyl]benzaldehyde
CID 102390910
molecular hydrogen;5-phenyl-2,3-dihydro-1H-tetrazole
CID 142137650
4-[2-(hydroxymethyl)phenyl]benzaldehyde
CID 1393999
4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde
CID 90680934
4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde
CID 143144222
3,4-bis(2-phenylphenyl)benzaldehyde
CID 141272209
4-[2-[2,4,5-tris[2-(4-acetylphenyl)phenyl]phenyl]phenyl]benzaldehyde
CID 59789089
benzaldehyde;hydrate
CID 86741597
4-(2,3-dimethylphenyl)benzaldehyde
CID 53426139
benzene;terephthalaldehyde
CID 163498156
4-(2-ethoxyphenyl)benzaldehyde
CID 62801534

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde?
The IUPAC name of 4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde (CID 88946416) is 4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde.
What is the SMILES notation for 4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde?
The canonical SMILES for 4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde is O=Cc1ccc(-c2ccccc2C2=NNNN2)cc1.
What is the InChIKey of 4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde?
The InChIKey is NSCMDZITBISFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c19-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-15-17-18-16-14/h1-9,17-18H,(H,15,16).
What are the key properties of 4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde?
4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde has a molecular weight of 252.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]benzaldehyde is sourced from PubChem (CID 88946416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).