3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde

C15H12Cl2O2 — CID 114067235

IUPAC3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde
SMILESCc1cc(Oc2c(Cl)cccc2C=O)cc(C)c1Cl
InChIInChI=1S/C15H12Cl2O2/c1-9-6-12(7-10(2)14(9)17)19-15-11(8-18)4-3-5-13(15)16/h3-8H,1-2H3
InChIKeyZRYBBTJLBHESGW-UHFFFAOYSA-N
MW295.16 g/mol
LogP5.22
Rot. Bonds3

About 3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde

3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde (PubChem CID 114067235) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde
PubChem CID114067235
Molecular FormulaC15H12Cl2O2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde
SMILESCc1cc(Oc2c(Cl)cccc2C=O)cc(C)c1Cl
InChIInChI=1S/C15H12Cl2O2/c1-9-6-12(7-10(2)14(9)17)19-15-11(8-18)4-3-5-13(15)16/h3-8H,1-2H3
InChIKeyZRYBBTJLBHESGW-UHFFFAOYSA-N
XLogP5.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.16
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-2-(4-chloro-3,5-dimethylphenoxy)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-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde
CID 114055694
3-chloro-2-(3-chloro-2-fluorophenoxy)benzaldehyde
CID 114067263
3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde
CID 112611304
3-chloro-2-(1-propylpyrazol-4-yl)oxybenzaldehyde
CID 114067265
3-chloro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 112611214
3-chloro-2-(difluoromethoxy)benzaldehyde
CID 112611467
3-chloro-2-(3-ethoxypropoxy)benzaldehyde
CID 112611490
2-(3,4-dichlorophenoxy)-3-fluorobenzaldehyde
CID 89397150
2-chloro-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 63565892
2,3-dichlorobenzaldehyde;methanol
CID 162040206
3-chloro-2-(2-ethylbutoxy)benzaldehyde
CID 112611417
2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde
CID 114054289

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde?
The IUPAC name of 3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde (CID 114067235) is 3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde.
What is the SMILES notation for 3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde?
The canonical SMILES for 3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde is Cc1cc(Oc2c(Cl)cccc2C=O)cc(C)c1Cl.
What is the InChIKey of 3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde?
The InChIKey is ZRYBBTJLBHESGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c1-9-6-12(7-10(2)14(9)17)19-15-11(8-18)4-3-5-13(15)16/h3-8H,1-2H3.
What are the key properties of 3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde?
3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde has a molecular weight of 295.16 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde is sourced from PubChem (CID 114067235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).