4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde

C17H19NO2 — CID 172651475

IUPAC4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde
SMILESCc1ccc(-c2cc(OCC(C)C)ccc2C=O)cn1
InChIInChI=1S/C17H19NO2/c1-12(2)11-20-16-7-6-15(10-19)17(8-16)14-5-4-13(3)18-9-14/h4-10,12H,11H2,1-3H3
InChIKeyYLNOJCOGEOETQO-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.90
Rot. Bonds5

About 4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde

4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde (PubChem CID 172651475) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde
PubChem CID172651475
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde
SMILESCc1ccc(-c2cc(OCC(C)C)ccc2C=O)cn1
InChIInChI=1S/C17H19NO2/c1-12(2)11-20-16-7-6-15(10-19)17(8-16)14-5-4-13(3)18-9-14/h4-10,12H,11H2,1-3H3
InChIKeyYLNOJCOGEOETQO-UHFFFAOYSA-N
XLogP3.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.90
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-(2-methylpropoxy)-2-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651184
2-chloro-4-(2-methylpropoxy)benzaldehyde
CID 52982918
5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde
CID 172651486
2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde
CID 172651179
4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde
CID 172651049
5-(2-methylpropoxy)-2-nitrobenzaldehyde
CID 21469084
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
5-(2-methylpropoxy)-2-benzofuran-1,3-dione
CID 139672228
2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde
CID 63157778
1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde
CID 82517740
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
[2-methyl-4-(2-methylpropoxy)phenyl]boronic acid
CID 83140010

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde?
The IUPAC name of 4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde (CID 172651475) is 4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde?
The canonical SMILES for 4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde is Cc1ccc(-c2cc(OCC(C)C)ccc2C=O)cn1.
What is the InChIKey of 4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde?
The InChIKey is YLNOJCOGEOETQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(2)11-20-16-7-6-15(10-19)17(8-16)14-5-4-13(3)18-9-14/h4-10,12H,11H2,1-3H3.
What are the key properties of 4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde?
4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde has a molecular weight of 269.34 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 172651475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).