4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde

C10H10N4O2 — CID 18768906

IUPAC4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde
SMILESO=Cc1ccc(C(O)Cc2nn[nH]n2)cc1
InChIInChI=1S/C10H10N4O2/c15-6-7-1-3-8(4-2-7)9(16)5-10-11-13-14-12-10/h1-4,6,9,16H,5H2,(H,11,12,13,14)
InChIKeyRJBSNYORMRASHC-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.29
Rot. Bonds4

About 4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde

4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde (PubChem CID 18768906) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde.

Molecular Properties

Compound Name4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde
PubChem CID18768906
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde
SMILESO=Cc1ccc(C(O)Cc2nn[nH]n2)cc1
InChIInChI=1S/C10H10N4O2/c15-6-7-1-3-8(4-2-7)9(16)5-10-11-13-14-12-10/h1-4,6,9,16H,5H2,(H,11,12,13,14)
InChIKeyRJBSNYORMRASHC-UHFFFAOYSA-N
XLogP0.29
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde?
The IUPAC name of 4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde (CID 18768906) is 4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde.
What is the SMILES notation for 4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde?
The canonical SMILES for 4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde is O=Cc1ccc(C(O)Cc2nn[nH]n2)cc1.
What is the InChIKey of 4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde?
The InChIKey is RJBSNYORMRASHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-6-7-1-3-8(4-2-7)9(16)5-10-11-13-14-12-10/h1-4,6,9,16H,5H2,(H,11,12,13,14).
What are the key properties of 4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde?
4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde has a molecular weight of 218.22 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde is sourced from PubChem (CID 18768906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).