2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde

C16H16O2 — CID 172649146

IUPAC2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde
SMILESCOc1ccc(-c2ccc(C)cc2C=O)c(C)c1
InChIInChI=1S/C16H16O2/c1-11-4-6-16(13(8-11)10-17)15-7-5-14(18-3)9-12(15)2/h4-10H,1-3H3
InChIKeyYZRQMYRHFWCMNN-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.79
Rot. Bonds3

About 2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde

2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde (PubChem CID 172649146) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde
PubChem CID172649146
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde
SMILESCOc1ccc(-c2ccc(C)cc2C=O)c(C)c1
InChIInChI=1S/C16H16O2/c1-11-4-6-16(13(8-11)10-17)15-7-5-14(18-3)9-12(15)2/h4-10H,1-3H3
InChIKeyYZRQMYRHFWCMNN-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde 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

5-methoxy-2-(3-methylphenyl)benzaldehyde
CID 90346664
5-chloro-2-(2,4-dimethylphenyl)benzaldehyde
CID 66161659
2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
CID 54910260
2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde
CID 172909442
ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde
CID 143820051
2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649093
2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388
2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde
CID 114077817
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984839
5-methoxy-2-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651190
2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide
CID 174287412

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde?
The IUPAC name of 2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde (CID 172649146) is 2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde.
What is the SMILES notation for 2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde?
The canonical SMILES for 2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde is COc1ccc(-c2ccc(C)cc2C=O)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde?
The InChIKey is YZRQMYRHFWCMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-4-6-16(13(8-11)10-17)15-7-5-14(18-3)9-12(15)2/h4-10H,1-3H3.
What are the key properties of 2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde?
2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde has a molecular weight of 240.30 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde is sourced from PubChem (CID 172649146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).