2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone

C13H18O3 — CID 82053775

IUPAC2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
SMILESCOCC(=O)c1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C13H18O3/c1-8-6-11(12(14)7-15-4)9(2)10(3)13(8)16-5/h6H,7H2,1-5H3
InChIKeyKOQCASQQMXYTFM-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.45
Rot. Bonds4

About 2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone

2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone (PubChem CID 82053775) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
PubChem CID82053775
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
SMILESCOCC(=O)c1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C13H18O3/c1-8-6-11(12(14)7-15-4)9(2)10(3)13(8)16-5/h6H,7H2,1-5H3
InChIKeyKOQCASQQMXYTFM-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one
CID 82053774
4-methoxy-2,3,5-trimethylbenzoyl chloride
CID 116924645
1-(4-methoxy-2,3,5-trimethylphenyl)-2-(propan-2-ylamino)ethanone
CID 96675991
2-(4-methoxy-2,3,5-trimethylphenyl)-2-oxoacetic acid
CID 82286864
2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82053664
2,2,2-trifluoro-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 82295022
4-methoxy-N',2,3,5-tetramethylbenzohydrazide
CID 116846887
4-amino-1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylbutan-1-one
CID 116916007
2-methoxy-1-(5-methoxy-2-methylphenyl)ethanone
CID 19880580
(4-methoxy-2,3,5-trimethylphenyl)-(oxiran-2-yl)methanone
CID 116826450
4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide
CID 110762901
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone?
The IUPAC name of 2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone (CID 82053775) is 2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone is COCC(=O)c1cc(C)c(OC)c(C)c1C.
What is the InChIKey of 2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone?
The InChIKey is KOQCASQQMXYTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-8-6-11(12(14)7-15-4)9(2)10(3)13(8)16-5/h6H,7H2,1-5H3.
What are the key properties of 2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone?
2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone has a molecular weight of 222.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone is sourced from PubChem (CID 82053775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).