1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone

C22H20O3 — CID 2462834

IUPAC1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone
SMILESCc1ccc(C(=O)COc2ccc(Oc3ccccc3)cc2)c(C)c1
InChIInChI=1S/C22H20O3/c1-16-8-13-21(17(2)14-16)22(23)15-24-18-9-11-20(12-10-18)25-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3
InChIKeyQPWDMMCOIZDRGJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.36
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone

1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone (PubChem CID 2462834) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone
PubChem CID2462834
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone
SMILESCc1ccc(C(=O)COc2ccc(Oc3ccccc3)cc2)c(C)c1
InChIInChI=1S/C22H20O3/c1-16-8-13-21(17(2)14-16)22(23)15-24-18-9-11-20(12-10-18)25-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3
InChIKeyQPWDMMCOIZDRGJ-UHFFFAOYSA-N
XLogP5.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone
CID 60626805
1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62338468
2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone
CID 82051086
1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412068
[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239775
1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone
CID 43413063
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 46307357
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
1-(2,4-dimethylphenyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanone
CID 58696140
4-(2-methyl-4-phenoxyphenyl)-4-oxobutanoic acid
CID 82051081
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-phenoxyphenoxy)ethanone
CID 110656150
2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 55027185

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone (CID 2462834) is 1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone is Cc1ccc(C(=O)COc2ccc(Oc3ccccc3)cc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone?
The InChIKey is QPWDMMCOIZDRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-16-8-13-21(17(2)14-16)22(23)15-24-18-9-11-20(12-10-18)25-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone?
1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone has a molecular weight of 332.40 g/mol, XLogP of 5.36, 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-(4-phenoxyphenoxy)ethanone is sourced from PubChem (CID 2462834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).