3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde

C16H16O2 — CID 105405428

IUPAC3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
SMILESCc1ccc(C)c(Oc2cc(C=O)ccc2C)c1
InChIInChI=1S/C16H16O2/c1-11-4-5-12(2)15(8-11)18-16-9-14(10-17)7-6-13(16)3/h4-10H,1-3H3
InChIKeyOROCJPPYOJLBJV-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.22
Rot. Bonds3

About 3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde

3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde (PubChem CID 105405428) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
PubChem CID105405428
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
SMILESCc1ccc(C)c(Oc2cc(C=O)ccc2C)c1
InChIInChI=1S/C16H16O2/c1-11-4-5-12(2)15(8-11)18-16-9-14(10-17)7-6-13(16)3/h4-10H,1-3H3
InChIKeyOROCJPPYOJLBJV-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,5-dimethylphenoxy)-4-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

2-(2,5-dimethylphenoxy)-5-formylbenzonitrile
CID 114063341
3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde
CID 81152103
4-[3-(2,5-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2264220
carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
CID 158784293
3-(3-methoxyphenoxy)-4-methylbenzaldehyde
CID 105405411
4-(5-formyl-2-methylphenoxy)-3,5-dimethylbenzonitrile
CID 105405600
4-bromo-2-(2,5-dimethylphenoxy)benzaldehyde
CID 43364705
4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde
CID 105405402
1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene
CID 71382789
4-amino-3-[2-(2-amino-5-methylphenoxy)ethenoxy]benzaldehyde
CID 152745146
3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde
CID 105405451
4-methyl-3-(4-propoxyphenoxy)benzaldehyde
CID 105405469

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde?
The IUPAC name of 3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde (CID 105405428) is 3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde is Cc1ccc(C)c(Oc2cc(C=O)ccc2C)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde?
The InChIKey is OROCJPPYOJLBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-4-5-12(2)15(8-11)18-16-9-14(10-17)7-6-13(16)3/h4-10H,1-3H3.
What are the key properties of 3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde?
3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde has a molecular weight of 240.30 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde is sourced from PubChem (CID 105405428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).