1-(3,4,5-trimethoxyphenyl)ethanone

C11H14O4 — CID 14345

IUPAC1-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)cc(OC)c1OC
InChIInChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3
InChIKeyVUGQIIQFXCXZJU-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.91
Rot. Bonds4

About 1-(3,4,5-trimethoxyphenyl)ethanone

1-(3,4,5-trimethoxyphenyl)ethanone (PubChem CID 14345) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(3,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,4,5-trimethoxyphenyl)ethanone
PubChem CID14345
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name1-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)cc(OC)c1OC
InChIInChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3
InChIKeyVUGQIIQFXCXZJU-UHFFFAOYSA-N
XLogP1.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4,5-trimethoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 1-(3,4,5-trimethoxyphenyl)ethanone (CID 14345) is 1-(3,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(3,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 1-(3,4,5-trimethoxyphenyl)ethanone is COc1cc(C(C)=O)cc(OC)c1OC.
What is the InChIKey of 1-(3,4,5-trimethoxyphenyl)ethanone?
The InChIKey is VUGQIIQFXCXZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3.
What are the key properties of 1-(3,4,5-trimethoxyphenyl)ethanone?
1-(3,4,5-trimethoxyphenyl)ethanone has a molecular weight of 210.23 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 14345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).