4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde

C19H15NO2 — CID 13115153

IUPAC4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnccc1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H15NO2/c21-13-16-12-20-11-10-17(16)18-8-4-5-9-19(18)22-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyVSKRNUXSZFRCGV-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.14
Rot. Bonds5

About 4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde

4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde (PubChem CID 13115153) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde
PubChem CID13115153
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cnccc1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H15NO2/c21-13-16-12-20-11-10-17(16)18-8-4-5-9-19(18)22-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyVSKRNUXSZFRCGV-UHFFFAOYSA-N
XLogP4.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde
CID 22444385
2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 54431299
4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde
CID 132587651
2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde
CID 171037619
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
6,7-bis(phenylmethoxy)isoquinoline
CID 14151864
2-(2-phenylmethoxyphenyl)-1,3-oxazole;pyridine
CID 175115317
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
3-chloro-5-(2-phenylmethoxyphenyl)pyridin-4-amine
CID 176729997
4-(4-fluoro-2-phenylmethoxyphenyl)-N-methylpyridin-3-amine
CID 70663307
3-(2-phenylmethoxyphenyl)-4-(2,2,2-trifluoroethoxy)benzaldehyde
CID 165416818

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde (CID 13115153) is 4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde is O=Cc1cnccc1-c1ccccc1OCc1ccccc1.
What is the InChIKey of 4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde?
The InChIKey is VSKRNUXSZFRCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-13-16-12-20-11-10-17(16)18-8-4-5-9-19(18)22-14-15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of 4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde?
4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde has a molecular weight of 289.33 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 13115153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).