1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone

C18H20O3 — CID 62338468

IUPAC1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone
SMILESCCOc1cccc(OCC(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C18H20O3/c1-4-20-15-6-5-7-16(11-15)21-12-18(19)17-9-8-13(2)10-14(17)3/h5-11H,4,12H2,1-3H3
InChIKeyDIAQHJCIFIXMPG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.96
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone

1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone (PubChem CID 62338468) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone
PubChem CID62338468
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone
SMILESCCOc1cccc(OCC(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C18H20O3/c1-4-20-15-6-5-7-16(11-15)21-12-18(19)17-9-8-13(2)10-14(17)3/h5-11H,4,12H2,1-3H3
InChIKeyDIAQHJCIFIXMPG-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone 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

1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412068
1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone
CID 2462834
1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone
CID 60626805
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
1-(4-bromophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62337475
2-(3-ethoxyphenoxy)-1-(4-ethylphenyl)ethanone
CID 62338272
2-(3-ethoxyphenoxy)-4-methylbenzoic acid
CID 62702429
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanone
CID 60975454
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 46307357
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-ethoxyphenoxy)ethanone
CID 110656317

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone (CID 62338468) is 1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone is CCOc1cccc(OCC(=O)c2ccc(C)cc2C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone?
The InChIKey is DIAQHJCIFIXMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-4-20-15-6-5-7-16(11-15)21-12-18(19)17-9-8-13(2)10-14(17)3/h5-11H,4,12H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone?
1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone has a molecular weight of 284.36 g/mol, XLogP of 3.96, 6 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-(3-ethoxyphenoxy)ethanone is sourced from PubChem (CID 62338468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).