3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one

C13H18O3 — CID 82053835

IUPAC3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
SMILESCOCCC(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C13H18O3/c1-9-7-11(12(14)5-6-15-3)13(16-4)8-10(9)2/h7-8H,5-6H2,1-4H3
InChIKeyBPADAQUMNZDRDL-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.53
Rot. Bonds5

About 3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one

3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one (PubChem CID 82053835) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
PubChem CID82053835
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
SMILESCOCCC(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C13H18O3/c1-9-7-11(12(14)5-6-15-3)13(16-4)8-10(9)2/h7-8H,5-6H2,1-4H3
InChIKeyBPADAQUMNZDRDL-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
4-(2-methoxy-4,5-dimethylphenyl)-4-oxobutanoic acid
CID 82049173
1-(5-bromo-2,4-dimethoxyphenyl)-3-methoxypropan-1-one
CID 82050580
4-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)butan-1-one
CID 94258854
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one
CID 82053745
2-chloro-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82048758
3-(tert-butylamino)-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 94275913
3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 105127255
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
1-(4-methoxy-2,5-dimethylphenyl)pentane-1,4-dione
CID 94686157
2-methoxy-4,5-dimethylbenzoyl bromide
CID 116924546
1-(2-methoxy-4,5-dimethylphenyl)-2-propylsulfanylethanone
CID 82053856

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one?
The IUPAC name of 3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one (CID 82053835) is 3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one is COCCC(=O)c1cc(C)c(C)cc1OC.
What is the InChIKey of 3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one?
The InChIKey is BPADAQUMNZDRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9-7-11(12(14)5-6-15-3)13(16-4)8-10(9)2/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one?
3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one has a molecular weight of 222.28 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 82053835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).