2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone

C19H22O2 — CID 43412300

IUPAC2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H22O2/c1-4-5-16-7-9-17(10-8-16)19(20)13-21-18-11-6-14(2)15(3)12-18/h6-12H,4-5,13H2,1-3H3
InChIKeyADFYMMABKAZTLV-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.52
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone

2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone (PubChem CID 43412300) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone
PubChem CID43412300
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H22O2/c1-4-5-16-7-9-17(10-8-16)19(20)13-21-18-11-6-14(2)15(3)12-18/h6-12H,4-5,13H2,1-3H3
InChIKeyADFYMMABKAZTLV-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)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-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535804
2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone
CID 60623922
2-(4-nitrophenoxy)-1-(4-propylphenyl)ethanone
CID 52888465
4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile
CID 7670213
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535900
[2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate
CID 7839590
(3,4-dimethylphenyl) 4-butylbenzoate
CID 91723742
2-(3,4-dimethylphenyl)-1-(4-propoxyphenyl)ethanone
CID 63410446
(4-propylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 19179045
2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43412302
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate
CID 30789870
2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone
CID 60626549

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone (CID 43412300) is 2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)COc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone?
The InChIKey is ADFYMMABKAZTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-4-5-16-7-9-17(10-8-16)19(20)13-21-18-11-6-14(2)15(3)12-18/h6-12H,4-5,13H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone?
2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone has a molecular weight of 282.38 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 43412300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).