1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone

C18H20O2 — CID 63566170

IUPAC1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone
SMILESCc1ccc(C(=O)COc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H20O2/c1-12-5-7-16(8-6-12)17(19)11-20-18-14(3)9-13(2)10-15(18)4/h5-10H,11H2,1-4H3
InChIKeyUQDYZOHUBSVOCU-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.18
Rot. Bonds4

About 1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone

1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone (PubChem CID 63566170) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone
PubChem CID63566170
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone
SMILESCc1ccc(C(=O)COc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H20O2/c1-12-5-7-16(8-6-12)17(19)11-20-18-14(3)9-13(2)10-15(18)4/h5-10H,11H2,1-4H3
InChIKeyUQDYZOHUBSVOCU-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
[2-(4-nitrophenyl)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 3310481
1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 61218583
4-[2-(4-chloro-2,6-dimethylphenoxy)acetyl]benzonitrile
CID 62030810
2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone
CID 60625443
4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde
CID 23408905
2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanone
CID 43799719
2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
CID 8914654
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone
CID 39109578
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone (CID 63566170) is 1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone is Cc1ccc(C(=O)COc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone?
The InChIKey is UQDYZOHUBSVOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-5-7-16(8-6-12)17(19)11-20-18-14(3)9-13(2)10-15(18)4/h5-10H,11H2,1-4H3.
What are the key properties of 1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone?
1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone has a molecular weight of 268.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone is sourced from PubChem (CID 63566170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).