1-(2,4,5-trimethoxyphenyl)propan-1-one

C12H16O4 — CID 700861

IUPAC1-(2,4,5-trimethoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C12H16O4/c1-5-9(13)8-6-11(15-3)12(16-4)7-10(8)14-2/h6-7H,5H2,1-4H3
InChIKeyKUQHFNICKXWOBZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.31
Rot. Bonds5

About 1-(2,4,5-trimethoxyphenyl)propan-1-one

1-(2,4,5-trimethoxyphenyl)propan-1-one (PubChem CID 700861) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(2,4,5-trimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,4,5-trimethoxyphenyl)propan-1-one
PubChem CID700861
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name1-(2,4,5-trimethoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C12H16O4/c1-5-9(13)8-6-11(15-3)12(16-4)7-10(8)14-2/h6-7H,5H2,1-4H3
InChIKeyKUQHFNICKXWOBZ-UHFFFAOYSA-N
XLogP2.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethoxyphenyl)propan-1-one?
The IUPAC name of 1-(2,4,5-trimethoxyphenyl)propan-1-one (CID 700861) is 1-(2,4,5-trimethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2,4,5-trimethoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2,4,5-trimethoxyphenyl)propan-1-one is CCC(=O)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of 1-(2,4,5-trimethoxyphenyl)propan-1-one?
The InChIKey is KUQHFNICKXWOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-5-9(13)8-6-11(15-3)12(16-4)7-10(8)14-2/h6-7H,5H2,1-4H3.
What are the key properties of 1-(2,4,5-trimethoxyphenyl)propan-1-one?
1-(2,4,5-trimethoxyphenyl)propan-1-one has a molecular weight of 224.26 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethoxyphenyl)propan-1-one is sourced from PubChem (CID 700861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).