3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzaldehyde

C18H18O3 — CID 60624328

IUPAC3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzaldehyde
SMILESCc1cc(C)c(C(=O)COc2cccc(C=O)c2)cc1C
InChIInChI=1S/C18H18O3/c1-12-7-14(3)17(8-13(12)2)18(20)11-21-16-6-4-5-15(9-16)10-19/h4-10H,11H2,1-3H3
InChIKeyUMHPSSQHICLJRF-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.69
Rot. Bonds5

About 3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzaldehyde

3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzaldehyde (PubChem CID 60624328) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzaldehyde
PubChem CID60624328
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzaldehyde
SMILESCc1cc(C)c(C(=O)COc2cccc(C=O)c2)cc1C
InChIInChI=1S/C18H18O3/c1-12-7-14(3)17(8-13(12)2)18(20)11-21-16-6-4-5-15(9-16)10-19/h4-10H,11H2,1-3H3
InChIKeyUMHPSSQHICLJRF-UHFFFAOYSA-N
XLogP3.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzonitrile
CID 4819726
3-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]benzaldehyde
CID 60624316
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(3-bromophenoxy)acetate
CID 7694597
2-(3-formylphenoxy)-N-pentan-3-ylacetamide
CID 60624295
ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate
CID 66489078
2-(3-formylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7128211
1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62338468
3-(fluoromethoxy)benzaldehyde
CID 22718686
3-[2-(2-methylphenoxy)ethoxy]benzaldehyde
CID 2295834
N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide
CID 29462813
methyl 4-[2-(3-formylphenoxy)ethoxy]benzoate
CID 18526173
methanamine;3-(2-oxoethoxy)benzaldehyde
CID 169139038

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzaldehyde?
The IUPAC name of 3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzaldehyde (CID 60624328) is 3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzaldehyde.
What is the SMILES notation for 3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzaldehyde?
The canonical SMILES for 3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzaldehyde is Cc1cc(C)c(C(=O)COc2cccc(C=O)c2)cc1C.
What is the InChIKey of 3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzaldehyde?
The InChIKey is UMHPSSQHICLJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-12-7-14(3)17(8-13(12)2)18(20)11-21-16-6-4-5-15(9-16)10-19/h4-10H,11H2,1-3H3.
What are the key properties of 3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzaldehyde?
3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzaldehyde has a molecular weight of 282.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzaldehyde is sourced from PubChem (CID 60624328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).