4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde

C15H15NO2 — CID 172651049

IUPAC4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde
SMILESCC(C)Oc1ccc(C=O)c(-c2cccnc2)c1
InChIInChI=1S/C15H15NO2/c1-11(2)18-14-6-5-13(10-17)15(8-14)12-4-3-7-16-9-12/h3-11H,1-2H3
InChIKeyLMGFFAOFFAGJGB-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.35
Rot. Bonds4

About 4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde

4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde (PubChem CID 172651049) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde.

Molecular Properties

Compound Name4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde
PubChem CID172651049
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde
SMILESCC(C)Oc1ccc(C=O)c(-c2cccnc2)c1
InChIInChI=1S/C15H15NO2/c1-11(2)18-14-6-5-13(10-17)15(8-14)12-4-3-7-16-9-12/h3-11H,1-2H3
InChIKeyLMGFFAOFFAGJGB-UHFFFAOYSA-N
XLogP3.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.35
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

4-propan-2-yloxy-3-pyridin-3-ylbenzaldehyde
CID 172651055
3-(4-propan-2-yloxyphenyl)pyridine
CID 91807940
2-bromo-4-propan-2-yloxybenzaldehyde
CID 104573949
4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine
CID 90118273
4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde
CID 172651475
1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone
CID 172651082
2-fluoro-4-propan-2-yloxybenzaldehyde;methane
CID 166468133
3-[(5E)-5-[(2-methoxy-4-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 24876940
2-methyl-4-pyridin-3-yloxybenzaldehyde
CID 62135095
1-methyl-2-oxo-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
CID 82518296
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269
4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 1397151

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde?
The IUPAC name of 4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde (CID 172651049) is 4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde.
What is the SMILES notation for 4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde?
The canonical SMILES for 4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde is CC(C)Oc1ccc(C=O)c(-c2cccnc2)c1.
What is the InChIKey of 4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde?
The InChIKey is LMGFFAOFFAGJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11(2)18-14-6-5-13(10-17)15(8-14)12-4-3-7-16-9-12/h3-11H,1-2H3.
What are the key properties of 4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde?
4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde has a molecular weight of 241.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde is sourced from PubChem (CID 172651049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).