1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one

C13H18O4 — CID 117349006

IUPAC1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one
SMILESCOCc1c(CC(C)=O)ccc(OC)c1OC
InChIInChI=1S/C13H18O4/c1-9(14)7-10-5-6-12(16-3)13(17-4)11(10)8-15-2/h5-6H,7-8H2,1-4H3
InChIKeyQAYHKVDCWPXGNZ-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.98
Rot. Bonds6

About 1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one

1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one (PubChem CID 117349006) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one
PubChem CID117349006
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one
SMILESCOCc1c(CC(C)=O)ccc(OC)c1OC
InChIInChI=1S/C13H18O4/c1-9(14)7-10-5-6-12(16-3)13(17-4)11(10)8-15-2/h5-6H,7-8H2,1-4H3
InChIKeyQAYHKVDCWPXGNZ-UHFFFAOYSA-N
XLogP1.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propanoic acid
CID 117426358
1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 83883722
1-(4-methoxynaphthalen-1-yl)propan-2-one
CID 70461266
1-(isocyanatomethyl)-3,4-dimethoxy-2-(methoxymethyl)benzene
CID 117346502
N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 84791445
2-amino-2-[3,4-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117390856
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050
1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid
CID 117424467
1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one
CID 84666859
2-[2,6-dimethoxy-3-(methoxymethyl)phenyl]propan-2-ol
CID 117353557
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117321933

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one?
The IUPAC name of 1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one (CID 117349006) is 1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one is COCc1c(CC(C)=O)ccc(OC)c1OC.
What is the InChIKey of 1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one?
The InChIKey is QAYHKVDCWPXGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-9(14)7-10-5-6-12(16-3)13(17-4)11(10)8-15-2/h5-6H,7-8H2,1-4H3.
What are the key properties of 1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one?
1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one has a molecular weight of 238.28 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one is sourced from PubChem (CID 117349006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).