5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde

C16H15ClO2 — CID 726878

IUPAC5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde
SMILESCc1cc(C)c(COc2ccccc2Cl)cc1C=O
InChIInChI=1S/C16H15ClO2/c1-11-7-12(2)14(8-13(11)9-18)10-19-16-6-4-3-5-15(16)17/h3-9H,10H2,1-2H3
InChIKeyVVSYSXDCDLGCIS-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.35
Rot. Bonds4

About 5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde

5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde (PubChem CID 726878) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde
PubChem CID726878
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde
SMILESCc1cc(C)c(COc2ccccc2Cl)cc1C=O
InChIInChI=1S/C16H15ClO2/c1-11-7-12(2)14(8-13(11)9-18)10-19-16-6-4-3-5-15(16)17/h3-9H,10H2,1-2H3
InChIKeyVVSYSXDCDLGCIS-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde 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

ethyl 3-[5-[(2-chlorophenoxy)methyl]-2,4-dimethylphenyl]-2-cyanoprop-2-enoate
CID 4064998
4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde
CID 19621675
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620643
5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde
CID 22684407
4-[(2-chlorophenoxy)methyl]thiophene-2-carbaldehyde
CID 19621674
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526
3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde
CID 112611304
2-[[5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl]methylidene]propanedinitrile
CID 726876
1-chloro-2-[(2-ethenylphenyl)methoxy]benzene
CID 70539652
2,4-dimethyl-5-[(2-methylphenyl)sulfanylmethyl]benzaldehyde
CID 4065043
4-[(3-chloro-2-formylphenoxy)methyl]-3-methylbenzonitrile
CID 114482390

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde (CID 726878) is 5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde is Cc1cc(C)c(COc2ccccc2Cl)cc1C=O.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde?
The InChIKey is VVSYSXDCDLGCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-11-7-12(2)14(8-13(11)9-18)10-19-16-6-4-3-5-15(16)17/h3-9H,10H2,1-2H3.
What are the key properties of 5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde?
5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde has a molecular weight of 274.75 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-2,4-dimethylbenzaldehyde is sourced from PubChem (CID 726878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).