3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde

C15H15NO2 — CID 16770145

IUPAC3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde
SMILESCc1cc(C=O)cc(C)c1OCc1cccnc1
InChIInChI=1S/C15H15NO2/c1-11-6-14(9-17)7-12(2)15(11)18-10-13-4-3-5-16-8-13/h3-9H,10H2,1-2H3
InChIKeyGBFOXMIRTDFMCG-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.09
Rot. Bonds4

About 3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde

3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde (PubChem CID 16770145) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde
PubChem CID16770145
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde
SMILESCc1cc(C=O)cc(C)c1OCc1cccnc1
InChIInChI=1S/C15H15NO2/c1-11-6-14(9-17)7-12(2)15(11)18-10-13-4-3-5-16-8-13/h3-9H,10H2,1-2H3
InChIKeyGBFOXMIRTDFMCG-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 53405816
3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline
CID 63690803
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 63324438
N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43276842
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 112611761
3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16769491
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 55691668

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde?
The IUPAC name of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde (CID 16770145) is 3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde?
The canonical SMILES for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde is Cc1cc(C=O)cc(C)c1OCc1cccnc1.
What is the InChIKey of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde?
The InChIKey is GBFOXMIRTDFMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-6-14(9-17)7-12(2)15(11)18-10-13-4-3-5-16-8-13/h3-9H,10H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde?
3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde has a molecular weight of 241.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde is sourced from PubChem (CID 16770145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).