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

C11H12N4O2 — CID 20601525

IUPAC4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde
SMILESCn1nnc(CC(O)c2ccc(C=O)cc2)n1
InChIInChI=1S/C11H12N4O2/c1-15-13-11(12-14-15)6-10(17)9-4-2-8(7-16)3-5-9/h2-5,7,10,17H,6H2,1H3
InChIKeyFFNDBVHMDXDXTB-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.30
Rot. Bonds4

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

4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde (PubChem CID 20601525) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde.

Molecular Properties

Compound Name4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde
PubChem CID20601525
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde
SMILESCn1nnc(CC(O)c2ccc(C=O)cc2)n1
InChIInChI=1S/C11H12N4O2/c1-15-13-11(12-14-15)6-10(17)9-4-2-8(7-16)3-5-9/h2-5,7,10,17H,6H2,1H3
InChIKeyFFNDBVHMDXDXTB-UHFFFAOYSA-N
XLogP0.30
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methyltetrazol-5-yl)ethyl]benzaldehyde?
The IUPAC name of 4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde (CID 20601525) is 4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde.
What is the SMILES notation for 4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde?
The canonical SMILES for 4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde is Cn1nnc(CC(O)c2ccc(C=O)cc2)n1.
What is the InChIKey of 4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde?
The InChIKey is FFNDBVHMDXDXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15-13-11(12-14-15)6-10(17)9-4-2-8(7-16)3-5-9/h2-5,7,10,17H,6H2,1H3.
What are the key properties of 4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde?
4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde has a molecular weight of 232.24 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde is sourced from PubChem (CID 20601525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).