1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone

C17H18O2 — CID 43413063

IUPAC1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C17H18O2/c1-12-5-8-15(9-6-12)19-11-17(18)16-10-13(2)4-7-14(16)3/h4-10H,11H2,1-3H3
InChIKeyDJISOGAOBLNGLP-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.87
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone

1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone (PubChem CID 43413063) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone
PubChem CID43413063
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C17H18O2/c1-12-5-8-15(9-6-12)19-11-17(18)16-10-13(2)4-7-14(16)3/h4-10H,11H2,1-3H3
InChIKeyDJISOGAOBLNGLP-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-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 55027185
1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624137
2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625035
2-(4-bromo-3,5-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 107725175
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(2,5-dimethylphenyl)ethanone
CID 43411830
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140911
1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone
CID 60626805
2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide
CID 47014341
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 882281
1-(2,5-dimethylphenyl)-2-(2,4,6-triiodophenoxy)ethanone
CID 63565815
2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]acetic acid
CID 61328943
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625071

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone (CID 43413063) is 1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone?
The InChIKey is DJISOGAOBLNGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-5-8-15(9-6-12)19-11-17(18)16-10-13(2)4-7-14(16)3/h4-10H,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone?
1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)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 1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 43413063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).