1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one

C12H16O3 — CID 117297433

IUPAC1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one
SMILESCOCc1cc(CC(C)=O)cc(OC)c1
InChIInChI=1S/C12H16O3/c1-9(13)4-10-5-11(8-14-2)7-12(6-10)15-3/h5-7H,4,8H2,1-3H3
InChIKeyZJRPEIPBUBEJEO-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.97
Rot. Bonds5

About 1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one

1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one (PubChem CID 117297433) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one
PubChem CID117297433
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one
SMILESCOCc1cc(CC(C)=O)cc(OC)c1
InChIInChI=1S/C12H16O3/c1-9(13)4-10-5-11(8-14-2)7-12(6-10)15-3/h5-7H,4,8H2,1-3H3
InChIKeyZJRPEIPBUBEJEO-UHFFFAOYSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-methoxy-5-(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

1-(3-ethoxy-5-methoxyphenyl)propan-2-one
CID 166641883
1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one
CID 83903980
2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid
CID 117323071
1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 83883722
1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117344792
ethyl 2-[3-methoxy-5-(methoxymethyl)phenyl]-2-oxoacetate
CID 117383434
butane;[3-methoxy-5-(methoxymethyl)phenyl] 2,2-dimethylpropanoate;phosphenous acid
CID 67818398
1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one
CID 117287584
2-[3-methoxy-5-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117322386
3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane
CID 144585769
1-(hydroperoxymethyl)-3,5-dimethoxybenzene
CID 89188233
1-(6-methoxynaphthalen-2-yl)propan-2-one;propane
CID 144625735

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one?
The IUPAC name of 1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one (CID 117297433) is 1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one is COCc1cc(CC(C)=O)cc(OC)c1.
What is the InChIKey of 1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one?
The InChIKey is ZJRPEIPBUBEJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9(13)4-10-5-11(8-14-2)7-12(6-10)15-3/h5-7H,4,8H2,1-3H3.
What are the key properties of 1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one?
1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one is sourced from PubChem (CID 117297433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).