1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone

C12H16O4 — CID 117321933

IUPAC1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cc(C(C)=O)cc(OC)c1OC
InChIInChI=1S/C12H16O4/c1-8(13)9-5-10(7-14-2)12(16-4)11(6-9)15-3/h5-6H,7H2,1-4H3
InChIKeyCZDONPZNESDPIH-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.05
Rot. Bonds5

About 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone

1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone (PubChem CID 117321933) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
PubChem CID117321933
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cc(C(C)=O)cc(OC)c1OC
InChIInChI=1S/C12H16O4/c1-8(13)9-5-10(7-14-2)12(16-4)11(6-9)15-3/h5-6H,7H2,1-4H3
InChIKeyCZDONPZNESDPIH-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117453769
3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
CID 117275838
1-(3,5-dimethoxy-4-methylphenyl)ethanone
CID 20697318
ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117457712
1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone
CID 54517444
1-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]ethanone
CID 117353223
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117386556
3-(cyanomethyl)-4,5-dimethoxybenzoic acid
CID 117315228
(2E)-2-hydroxyimino-1-(3,4,5-trimethoxyphenyl)ethanone;1-(3,4,5-trimethoxyphenyl)ethanone
CID 172943589
1,4-dimethoxy-2-(methoxymethyl)naphthalene
CID 143782720
1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone
CID 22025593
methyl 3-methoxy-4-(methoxymethyl)benzoate
CID 134128516

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone (CID 117321933) is 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone is COCc1cc(C(C)=O)cc(OC)c1OC.
What is the InChIKey of 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone?
The InChIKey is CZDONPZNESDPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8(13)9-5-10(7-14-2)12(16-4)11(6-9)15-3/h5-6H,7H2,1-4H3.
What are the key properties of 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone?
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone has a molecular weight of 224.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 117321933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).