1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone

C19H22O2 — CID 43412068

IUPAC1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone
SMILESCc1ccc(C(=O)COc2cccc(C(C)C)c2)c(C)c1
InChIInChI=1S/C19H22O2/c1-13(2)16-6-5-7-17(11-16)21-12-19(20)18-9-8-14(3)10-15(18)4/h5-11,13H,12H2,1-4H3
InChIKeyBFCBAXXZFBMGBH-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.69
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone

1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone (PubChem CID 43412068) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone
PubChem CID43412068
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone
SMILESCc1ccc(C(=O)COc2cccc(C(C)C)c2)c(C)c1
InChIInChI=1S/C19H22O2/c1-13(2)16-6-5-7-17(11-16)21-12-19(20)18-9-8-14(3)10-15(18)4/h5-11,13H,12H2,1-4H3
InChIKeyBFCBAXXZFBMGBH-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62338468
1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43612562
1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone
CID 2462834
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 55638715
1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412075
1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone
CID 60626805
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
2-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)ethanone
CID 82006063
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 46307357
(E)-3-methyl-4-(3-propan-2-ylphenoxy)but-2-enoic acid
CID 63774876
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175939

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone (CID 43412068) is 1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone is Cc1ccc(C(=O)COc2cccc(C(C)C)c2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone?
The InChIKey is BFCBAXXZFBMGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-13(2)16-6-5-7-17(11-16)21-12-19(20)18-9-8-14(3)10-15(18)4/h5-11,13H,12H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone?
1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone has a molecular weight of 282.38 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 43412068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).