2-(4-methoxy-3-methylphenyl)benzaldehyde

C15H14O2 — CID 54910312

IUPAC2-(4-methoxy-3-methylphenyl)benzaldehyde
SMILESCOc1ccc(-c2ccccc2C=O)cc1C
InChIInChI=1S/C15H14O2/c1-11-9-12(7-8-15(11)17-2)14-6-4-3-5-13(14)10-16/h3-10H,1-2H3
InChIKeySYBAQSODBAKYJJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.48
Rot. Bonds3

About 2-(4-methoxy-3-methylphenyl)benzaldehyde

2-(4-methoxy-3-methylphenyl)benzaldehyde (PubChem CID 54910312) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)benzaldehyde
PubChem CID54910312
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name2-(4-methoxy-3-methylphenyl)benzaldehyde
SMILESCOc1ccc(-c2ccccc2C=O)cc1C
InChIInChI=1S/C15H14O2/c1-11-9-12(7-8-15(11)17-2)14-6-4-3-5-13(14)10-16/h3-10H,1-2H3
InChIKeySYBAQSODBAKYJJ-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 ≤ 500226.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-methoxy-3-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

2-(4-fluoro-3-methylphenyl)benzaldehyde
CID 61025610
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559
2-(3-chloro-4-methylphenyl)benzaldehyde
CID 115504091
2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde
CID 106681100
1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene
CID 58902832
4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene
CID 126696020
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
2-(3,5-dimethylphenyl)benzaldehyde
CID 61025926
2-methoxy-3-methyl-5-(2-methylphenyl)benzaldehyde
CID 171919508
methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate
CID 170838684
2-(4-chloro-3-fluorophenyl)benzaldehyde
CID 18357470
2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226287

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)benzaldehyde?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)benzaldehyde (CID 54910312) is 2-(4-methoxy-3-methylphenyl)benzaldehyde.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)benzaldehyde?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)benzaldehyde is COc1ccc(-c2ccccc2C=O)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)benzaldehyde?
The InChIKey is SYBAQSODBAKYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-11-9-12(7-8-15(11)17-2)14-6-4-3-5-13(14)10-16/h3-10H,1-2H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)benzaldehyde?
2-(4-methoxy-3-methylphenyl)benzaldehyde has a molecular weight of 226.28 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 2-(4-methoxy-3-methylphenyl)benzaldehyde is sourced from PubChem (CID 54910312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).