1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone

C18H20O3 — CID 43413909

IUPAC1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
SMILESCOc1cc(C)ccc1OCC(=O)c1ccc(C)cc1C
InChIInChI=1S/C18H20O3/c1-12-5-7-15(14(3)9-12)16(19)11-21-17-8-6-13(2)10-18(17)20-4/h5-10H,11H2,1-4H3
InChIKeyYUMGNOVRBPLTAX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.88
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone

1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone (PubChem CID 43413909) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
PubChem CID43413909
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
SMILESCOc1cc(C)ccc1OCC(=O)c1ccc(C)cc1C
InChIInChI=1S/C18H20O3/c1-12-5-7-15(14(3)9-12)16(19)11-21-17-8-6-13(2)10-18(17)20-4/h5-10H,11H2,1-4H3
InChIKeyYUMGNOVRBPLTAX-UHFFFAOYSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2543120
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 46307357
2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 107285015
2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 63269744
1-(2,4-dimethylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778164
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 62032361
2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 43413893
1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43612412
2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 63565665
1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413925

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone (CID 43413909) is 1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone is COc1cc(C)ccc1OCC(=O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone?
The InChIKey is YUMGNOVRBPLTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-5-7-15(14(3)9-12)16(19)11-21-17-8-6-13(2)10-18(17)20-4/h5-10H,11H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone?
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone has a molecular weight of 284.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone is sourced from PubChem (CID 43413909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).