2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone

C17H18O2 — CID 43411920

IUPAC2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2ccc(C)cc2C)cc1
InChIInChI=1S/C17H18O2/c1-12-4-7-15(8-5-12)16(18)11-19-17-9-6-13(2)10-14(17)3/h4-10H,11H2,1-3H3
InChIKeyRFBVWQYVMHCIPR-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.87
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone

2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone (PubChem CID 43411920) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
PubChem CID43411920
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2ccc(C)cc2C)cc1
InChIInChI=1S/C17H18O2/c1-12-4-7-15(8-5-12)16(18)11-19-17-9-6-13(2)10-14(17)3/h4-10H,11H2,1-3H3
InChIKeyRFBVWQYVMHCIPR-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43411877
1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 63566170
2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone
CID 43612481
2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612483
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
[4-(4-methylphenyl)phenyl] 2-(2,4-dimethylphenoxy)acetate
CID 19179319
2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone
CID 60624093
2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone
CID 62671843
2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone
CID 63568169
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 9457373
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone (CID 43411920) is 2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)COc2ccc(C)cc2C)cc1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone?
The InChIKey is RFBVWQYVMHCIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-4-7-15(8-5-12)16(18)11-19-17-9-6-13(2)10-14(17)3/h4-10H,11H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone?
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone has a molecular weight of 254.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 43411920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).