2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde

C19H15NO2 — CID 22444385

IUPAC2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde
SMILESO=Cc1cccc(-c2cccnc2)c1OCc1ccccc1
InChIInChI=1S/C19H15NO2/c21-13-17-8-4-10-18(16-9-5-11-20-12-16)19(17)22-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyJITJSQKVDURIDL-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.14
Rot. Bonds5

About 2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde

2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde (PubChem CID 22444385) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde.

Molecular Properties

Compound Name2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde
PubChem CID22444385
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde
SMILESO=Cc1cccc(-c2cccnc2)c1OCc1ccccc1
InChIInChI=1S/C19H15NO2/c21-13-17-8-4-10-18(16-9-5-11-20-12-16)19(17)22-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyJITJSQKVDURIDL-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-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde
CID 171037619
3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 112611761
3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16769491
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde
CID 13115153
(E)-3-[2-(3-formyl-4-pyridin-3-ylphenyl)-5-phenylmethoxyphenyl]prop-2-enoic acid
CID 87293717
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
2-phenylmethoxy-3-prop-1-enylbenzaldehyde
CID 139673280
4-methyl-3-phenylmethoxy-5-pyridin-3-ylpyridine
CID 175581548
2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde
CID 14688776
2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde
CID 53220652
2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
CID 158370416

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde?
The IUPAC name of 2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde (CID 22444385) is 2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde.
What is the SMILES notation for 2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde?
The canonical SMILES for 2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde is O=Cc1cccc(-c2cccnc2)c1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde?
The InChIKey is JITJSQKVDURIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-13-17-8-4-10-18(16-9-5-11-20-12-16)19(17)22-14-15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of 2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde?
2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde 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 2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde is sourced from PubChem (CID 22444385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).