2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone

C17H18O3 — CID 167431129

IUPAC2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone
SMILESCCOc1cc(C)ccc1OCC(=O)c1ccccc1
InChIInChI=1S/C17H18O3/c1-3-19-17-11-13(2)9-10-16(17)20-12-15(18)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
InChIKeyJPMDVPWFLLONJA-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.66
Rot. Bonds6

About 2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone

2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone (PubChem CID 167431129) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone
PubChem CID167431129
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone
SMILESCCOc1cc(C)ccc1OCC(=O)c1ccccc1
InChIInChI=1S/C17H18O3/c1-3-19-17-11-13(2)9-10-16(17)20-12-15(18)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
InChIKeyJPMDVPWFLLONJA-UHFFFAOYSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-4-phenacyloxybenzonitrile
CID 7993363
2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone
CID 43426881
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413925
1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43612412
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
bis(3,4-diethoxyphenyl)methanone
CID 135325793
2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
CID 8914654
2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone
CID 150180043
(2-phenacyloxyphenyl) acetate
CID 2303836
3-(2-ethoxy-5-methylphenyl)prop-2-enoic acid
CID 77011473
2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone
CID 62671843

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone?
The IUPAC name of 2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone (CID 167431129) is 2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone.
What is the SMILES notation for 2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone?
The canonical SMILES for 2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone is CCOc1cc(C)ccc1OCC(=O)c1ccccc1.
What is the InChIKey of 2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone?
The InChIKey is JPMDVPWFLLONJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-19-17-11-13(2)9-10-16(17)20-12-15(18)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone?
2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone has a molecular weight of 270.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone is sourced from PubChem (CID 167431129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).