4-methoxy-3-(4-methylphenyl)benzaldehyde

C15H14O2 — CID 82038833

IUPAC4-methoxy-3-(4-methylphenyl)benzaldehyde
SMILESCOc1ccc(C=O)cc1-c1ccc(C)cc1
InChIInChI=1S/C15H14O2/c1-11-3-6-13(7-4-11)14-9-12(10-16)5-8-15(14)17-2/h3-10H,1-2H3
InChIKeyVKKXGNUIVSTUAZ-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.48
Rot. Bonds3

About 4-methoxy-3-(4-methylphenyl)benzaldehyde

4-methoxy-3-(4-methylphenyl)benzaldehyde (PubChem CID 82038833) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-methoxy-3-(4-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-(4-methylphenyl)benzaldehyde
PubChem CID82038833
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name4-methoxy-3-(4-methylphenyl)benzaldehyde
SMILESCOc1ccc(C=O)cc1-c1ccc(C)cc1
InChIInChI=1S/C15H14O2/c1-11-3-6-13(7-4-11)14-9-12(10-16)5-8-15(14)17-2/h3-10H,1-2H3
InChIKeyVKKXGNUIVSTUAZ-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxy-3-(4-methylphenyl)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-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
3-(4-acetylphenyl)-4-methoxybenzaldehyde
CID 12987456
4-ethenyl-1-methoxy-2-(4-methylphenyl)benzene
CID 172879757
4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde
CID 83663000
3-[3,5-bis(trifluoromethyl)phenyl]-4-methoxybenzaldehyde
CID 118071467
carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
CID 158784293
3-(1H-indol-5-yl)-4-methoxybenzaldehyde
CID 22391514
3-(3,4-dimethylphenyl)-4-(trifluoromethoxy)benzaldehyde
CID 172879620
3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxybenzaldehyde
CID 86587844
4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde
CID 82039718
3-methyl-4-(4-methylphenyl)benzaldehyde
CID 81447593
3-(4-chloro-3-nitrophenyl)-4-methoxybenzaldehyde
CID 82039651

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4-methylphenyl)benzaldehyde?
The IUPAC name of 4-methoxy-3-(4-methylphenyl)benzaldehyde (CID 82038833) is 4-methoxy-3-(4-methylphenyl)benzaldehyde.
What is the SMILES notation for 4-methoxy-3-(4-methylphenyl)benzaldehyde?
The canonical SMILES for 4-methoxy-3-(4-methylphenyl)benzaldehyde is COc1ccc(C=O)cc1-c1ccc(C)cc1.
What is the InChIKey of 4-methoxy-3-(4-methylphenyl)benzaldehyde?
The InChIKey is VKKXGNUIVSTUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-11-3-6-13(7-4-11)14-9-12(10-16)5-8-15(14)17-2/h3-10H,1-2H3.
What are the key properties of 4-methoxy-3-(4-methylphenyl)benzaldehyde?
4-methoxy-3-(4-methylphenyl)benzaldehyde has a molecular weight of 226.27 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(4-methylphenyl)benzaldehyde is sourced from PubChem (CID 82038833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).