2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone

C19H22O2 — CID 43412302

IUPAC2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)COc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C19H22O2/c1-12-8-15(4)19(16(5)9-12)18(20)11-21-17-7-6-13(2)14(3)10-17/h6-10H,11H2,1-5H3
InChIKeyWUKYDYAJFIPHOI-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.49
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone

2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 43412302) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID43412302
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)COc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C19H22O2/c1-12-8-15(4)19(16(5)9-12)18(20)11-21-17-7-6-13(2)14(3)10-17/h6-10H,11H2,1-5H3
InChIKeyWUKYDYAJFIPHOI-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43413394
2-(2,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43411877
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone
CID 43412330
2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone
CID 43412300
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 27569378
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(3,4-dimethylphenoxy)acetate
CID 44637587
1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone
CID 43413063
2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625035
(3,4-dimethylphenyl) 2-[4-(4-methylphenyl)phenoxy]acetate
CID 19180769

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone (CID 43412302) is 2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)COc2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is WUKYDYAJFIPHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-12-8-15(4)19(16(5)9-12)18(20)11-21-17-7-6-13(2)14(3)10-17/h6-10H,11H2,1-5H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone?
2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 282.38 g/mol, XLogP of 4.49, 4 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-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 43412302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).