2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde

C11H10N2O2 — CID 143884984

IUPAC2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde
SMILESO=CCOc1ccccc1-c1cnc[nH]1
InChIInChI=1S/C11H10N2O2/c14-5-6-15-11-4-2-1-3-9(11)10-7-12-8-13-10/h1-5,7-8H,6H2,(H,12,13)
InChIKeyBHZKISHQDZNGCQ-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.65
Rot. Bonds4

About 2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde

2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde (PubChem CID 143884984) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde
PubChem CID143884984
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde
SMILESO=CCOc1ccccc1-c1cnc[nH]1
InChIInChI=1S/C11H10N2O2/c14-5-6-15-11-4-2-1-3-9(11)10-7-12-8-13-10/h1-5,7-8H,6H2,(H,12,13)
InChIKeyBHZKISHQDZNGCQ-UHFFFAOYSA-N
XLogP1.65
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde (CID 143884984) is 2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde is O=CCOc1ccccc1-c1cnc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde?
The InChIKey is BHZKISHQDZNGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-5-6-15-11-4-2-1-3-9(11)10-7-12-8-13-10/h1-5,7-8H,6H2,(H,12,13).
What are the key properties of 2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde?
2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde is sourced from PubChem (CID 143884984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).