1-(3,5-dimethoxy-4-methylphenyl)ethanone

C11H14O3 — CID 20697318

IUPAC1-(3,5-dimethoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C(C)=O)cc(OC)c1C
InChIInChI=1S/C11H14O3/c1-7-10(13-3)5-9(8(2)12)6-11(7)14-4/h5-6H,1-4H3
InChIKeyJJFQCUAKXXVLEB-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.21
Rot. Bonds3

About 1-(3,5-dimethoxy-4-methylphenyl)ethanone

1-(3,5-dimethoxy-4-methylphenyl)ethanone (PubChem CID 20697318) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(3,5-dimethoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethoxy-4-methylphenyl)ethanone
PubChem CID20697318
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-(3,5-dimethoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C(C)=O)cc(OC)c1C
InChIInChI=1S/C11H14O3/c1-7-10(13-3)5-9(8(2)12)6-11(7)14-4/h5-6H,1-4H3
InChIKeyJJFQCUAKXXVLEB-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3-methoxy-5-methylphenyl)ethanone
CID 54447839
1-(4-bromo-3-methoxy-5-methylphenyl)ethanone
CID 84801903
N,3,5-trimethoxy-N,4-dimethylbenzamide
CID 23137896
1-(3-chloro-4-iodo-5-methoxyphenyl)ethanone
CID 171002773
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
N-ethoxy-3,5-dimethoxy-4-methylbenzamide
CID 52555843
1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone
CID 22025593
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117321933
1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
1-(6-methoxy-5-methylnaphthalen-2-yl)ethanone
CID 20641233

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxy-4-methylphenyl)ethanone?
The IUPAC name of 1-(3,5-dimethoxy-4-methylphenyl)ethanone (CID 20697318) is 1-(3,5-dimethoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 1-(3,5-dimethoxy-4-methylphenyl)ethanone?
The canonical SMILES for 1-(3,5-dimethoxy-4-methylphenyl)ethanone is COc1cc(C(C)=O)cc(OC)c1C.
What is the InChIKey of 1-(3,5-dimethoxy-4-methylphenyl)ethanone?
The InChIKey is JJFQCUAKXXVLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-10(13-3)5-9(8(2)12)6-11(7)14-4/h5-6H,1-4H3.
What are the key properties of 1-(3,5-dimethoxy-4-methylphenyl)ethanone?
1-(3,5-dimethoxy-4-methylphenyl)ethanone has a molecular weight of 194.23 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 20697318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).